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Pecan_Choktaw

doi:10.17617/3.TWZWSB

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Elena Levin

Volcani Institute, Agricultural Research Center

Dr. Itay Maoz group; Postharvest science department

Sample in glass vial

20ml

Solid-Phase Microextraction (SPME)

Sample details

Title Pecan_Choktaw

Date of collection 2026-01-05

Collection method Sample in glass vial

Collection volume (of the vial) 20ml

Did not weight No

Mass of object sample 2g

Sample storage before sampling? No

Material state (old) Crushed

Salts Sodium chloride

Incubation duration 1sec

Incubation temperature 25°C

Sampling method

Sampling method Solid-Phase Microextraction (SPME)

Robotic automation Yes

What platform? Centri PAL3

Sorbent type DVB/Carbon-WR/PDMS

Sorbent phase thickness 80um

Headspace equilibrium temperature 40°C

Headspace equilibrium time 30min

Extraction mode Yes

Extraction time 30min

Extraction temperature 40°C

Desorption time 5min

Desorption temperature 250°C

Vortex No

GC-MS

Column type HP-5ms

Column flow 23.823ml/min

Pressure 5.3171psi

Length 30m

Inner diameter 250mm

Film thickness 0.25μm

Carrier gas He

Temperature ramps

Number of ramps 3

GC initial temperature 40°C

GC initial temperature hold time 1min

GC first temperature ramp rate 5°C/min

GC second temperature 160°C

GC second temperature hold time 2min

GC second temperature ramp rate 10°C/min

GC final temperature 250°C

GC final temperature hold time 1 min

Mass Spectrometer detectors Quadrupole-MS (Agilent)

Filament Voltage 1191V

Scan mass range 40-250

Data rate 50Hz

Ionisation -70eV

Peach fruit - time 0

doi:10.17617/3.KT7TNG

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Elena Levin

Volcani Institute, Agricultural Research Center

Dr. Itay Maoz group; Postharvest science department

Sample in glass vial

20ml

Solid-Phase Microextraction (SPME)

Sample details

Title Peach fruit - time 0

Collection method Sample in glass vial

Collection volume (of the vial) 20ml

Did not weight No

Mass of object sample 2g

Sample storage before sampling? No

Sampling method

Sampling method Solid-Phase Microextraction (SPME)

Robotic automation Yes

What platform? Centri PAL3

Sorbent type DVB/Carbon-WR/PDMS

Sorbent phase thickness 80um

Headspace equilibrium temperature 40°C

Headspace equilibrium time 30min

Extraction mode Yes

Extraction time 30min

Extraction temperature 40°C

Desorption time 5min

Desorption temperature 250°C

Vortex No

GC-MS

Column type HP-5ms

Column flow 23.823ml/min

Pressure 5.3171psi

Length 30m

Inner diameter 250mm

Film thickness 0.25μm

Temperature ramps

Number of ramps 2

GC initial temperature 40°C

GC initial temperature hold time 1min

GC first temperature ramp rate 5°C/min

GC second temperature 160°C

GC second temperature hold time 2min

GC second temperature ramp rate 10°C/min

GC final temperature 250°C

GC final temperature hold time 1 min

Mass Spectrometer detectors Quadrupole-MS (Agilent)

Filament Voltage 1191V

Scan mass range 40-250

Data rate 50Hz

Ionisation -70eV

Cinnamon Stick (Cassia)

doi:10.17617/3.WACV69

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Tali Weiss

Weizmann Institute of Science

The department of Brain Sciences

Sample in glass vial

20ml

Static headspace using syringe injection

Sample details

Title Cinnamon Stick (Cassia)

Date of collection 2025-01-14

Collection method Sample in glass vial

Collection volume (of the vial) 20ml

Did not weight Yes

Sample storage before sampling? No

Material state (old) Dried

Sampling method

Sampling method Static headspace using syringe injection

Robotic automation Yes

What platform? Centri 360

Syringe volume 5ml

Heat Syringe 40°C

Total sampling volume 10ml

Enrich sample on cold trap Yes

Total number of injections 2

Enrichment delay 2min

Incubation before sampling Yes

Incubation time 2min

Incubation temperature 35°C

Agitation during the incubation period Yes

Injector temperature 200°C

Injection Time 2min

Incubation during sampling No

GC-MS

Focusing trap Markes focusing trap

Focusing trap sorbent-packed UNITY-T12ME-2S Material emissions, C4 - C32

Desorb trap purge time 0min

Trap purge flow 0ml/min

Trap low temperature 10°C

Trap heating rate 100°C/s

Trap high (desorb) temperature 200°C

Trap desorb time 3min

Trap split Yes

Split flow 20ml/min

Column type HP-5ms -UI (Agilent)

Column flow 1ml/min

Pressure 10.55psi

Length 30m

Inner diameter 0.25mm

Film thickness 0.25μm

Carrier gas He

Temperature ramps

Number of ramps 1

GC initial temperature 35°C

GC initial temperature hold time 1.5min

GC first temperature ramp rate 5°C/min

GC final temperature 140°C

GC final temperature hold time 1 min

Mass Spectrometer detectors BenchTOF2 (SepSolve)

Filament Voltage 1.6V

Scan mass range 30-250

Data rate 10Hz

Ionisation -70eV

Strawberry

doi:10.17617/3.EKNRT4

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Tali Weiss

Weizmann Institute of Science

The department of Brain Sciences

Sample in glass vial

20ml

Static headspace using syringe injection

Sample details

Title Strawberry

Date of collection 2025-01-13

Collection method Sample in glass vial

Collection volume (of the vial) 20ml

Did not weight Yes

Sample storage before sampling? No

Material state (old) Chopped

Sampling method

Sampling method Static headspace using syringe injection

Robotic automation Yes

What platform? Centri 360

Syringe volume 5ml

Heat Syringe 40°C

Total sampling volume 15ml

Enrich sample on cold trap Yes

Total number of injections 3

Enrichment delay 2min

Incubation before sampling Yes

Incubation time 2min

Incubation temperature 35°C

Agitation during the incubation period Yes

Injector temperature 150°C

Injection Time 2min

Incubation during sampling No

GC-MS

Focusing trap Markes focusing trap

Focusing trap sorbent-packed UNITY-T12ME-2S Material emissions, C4 - C32

Desorb trap purge time 3min

Trap purge flow 40ml/min

Trap low temperature 10°C

Trap heating rate 100°C/s

Trap high (desorb) temperature 200°C

Trap desorb time 3min

Trap split Yes

Split flow 5ml/min

Column type HP-5ms -UI (Agilent)

Column flow 1ml/min

Pressure 10.55psi

Length 30m

Inner diameter 0.25mm

Film thickness 0.25μm

Carrier gas He

Temperature ramps

Number of ramps 1

GC initial temperature 35°C

GC initial temperature hold time 1.5min

GC first temperature ramp rate 5°C/min

GC final temperature 140°C

GC final temperature hold time 1 min

Mass Spectrometer detectors BenchTOF2 (SepSolve)

Filament Voltage 1.6V

Scan mass range 30-200

Data rate 10Hz

Ionisation -70eV

Strawberry

doi:10.17617/3.HE4NOQ

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Tali Weiss

Weizmann Institute of Science

The department of Brain Sciences

Sample in glass vial

20ml

Static headspace using syringe injection

Sample details

Title Strawberry

Date of collection 2025-01-13

Collection method Sample in glass vial

Collection volume (of the vial) 20ml

Did not weight Yes

Sample storage before sampling? No

Material state (old) Chopped

Sampling method

Sampling method Static headspace using syringe injection

Robotic automation Yes

What platform? Centri 360

Syringe volume 5ml

Heat Syringe 40°C

Total sampling volume 10ml

Enrich sample on cold trap Yes

Total number of injections 2

Enrichment delay 2min

Incubation before sampling Yes

Incubation time 2min

Incubation temperature 35°C

Agitation during the incubation period Yes

Injector temperature 150°C

Injection Time 2min

Incubation during sampling No

GC-MS

Focusing trap Markes focusing trap

Focusing trap sorbent-packed UNITY-T12ME-2S Material emissions, C4 - C32

Desorb trap purge time 3min

Trap purge flow 40ml/min

Trap low temperature 10°C

Trap heating rate 100°C/s

Trap high (desorb) temperature 200°C

Trap desorb time 3min

Trap split Yes

Split flow 10ml/min

Column type HP-5ms -UI (Agilent)

Column flow 1ml/min

Pressure 10.55psi

Length 30m

Inner diameter 0.25mm

Film thickness 0.25μm

Carrier gas He

Temperature ramps

Number of ramps 1

GC initial temperature 35°C

GC initial temperature hold time 1.5min

GC first temperature ramp rate 5°C/min

GC final temperature 140°C

GC final temperature hold time 1 min

Mass Spectrometer detectors BenchTOF2 (SepSolve)

Filament Voltage 1.6V

Scan mass range 30-200

Data rate 10Hz

Ionisation -70eV

Rosmarine leaves

doi:10.17617/3.OOKDB4

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Tali Weiss

Weizmann Institute of Science

The department of Brain Sciences

Sample in glass vial

20ml

Static headspace using syringe injection

Sample details

Title Rosmarine leaves

Date of collection 2025-01-13

Collection method Sample in glass vial

Collection volume (of the vial) 20ml

Did not weight Yes

Sample storage before sampling? No

Material state (old) Fresh

Sampling method

Sampling method Static headspace using syringe injection

Robotic automation Yes

What platform? Centri 360

Syringe volume 5ml

Heat Syringe 40°C

Total sampling volume 3ml

Enrich sample on cold trap No

Incubation before sampling Yes

Incubation time 1min

Incubation temperature 35°C

Agitation during the incubation period Yes

Injector temperature 150°C

Injection Time 1min

Incubation during sampling No

GC-MS

Focusing trap Markes focusing trap

Focusing trap sorbent-packed UNITY-T12ME-2S Material emissions, C4 - C32

Desorb trap purge time 2min

Trap purge flow 40ml/min

Trap low temperature 15°C

Trap heating rate 100°C/s

Trap high (desorb) temperature 220°C

Trap desorb time 3min

Trap split Yes

Split flow 100ml/min

Column type HP-5ms -UI (Agilent)

Column flow 1ml/min

Pressure 10.55psi

Length 30m

Inner diameter 0.25mm

Film thickness 0.25μm

Carrier gas He

Temperature ramps

Number of ramps 1

GC initial temperature 35°C

GC initial temperature hold time 1.5min

GC first temperature ramp rate 5°C/min

GC final temperature 140°C

GC final temperature hold time 1 min

Mass Spectrometer detectors BenchTOF2 (SepSolve)

Filament Voltage 1.6V

Scan mass range 30-200

Data rate 10Hz

Ionisation -70eV

dark chocolate

doi:10.17617/3.YTHEEL

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Tali Weiss

Weizmann Institute of Science

The department of Brain Sciences

Sample in glass vial

20ml

Static headspace using syringe injection

Sample details

Title dark chocolate

Date of collection 2025-01-13

Collection method Sample in glass vial

Collection volume (of the vial) 20ml

Did not weight No

Mass of object sample 3g

Sample storage before sampling? No

Material state (old) Chopped

Sampling method

Sampling method Static headspace using syringe injection

Robotic automation Yes

What platform? Centri 360

Syringe volume 5ml

Heat Syringe 50°C

Total sampling volume 20ml

Enrich sample on cold trap Yes

Total number of injections 4

Enrichment delay 1min

Incubation before sampling Yes

Incubation time 2min

Incubation temperature 45°C

Agitation during the incubation period Yes

Injector temperature 150°C

Injection Time 2min

Incubation during sampling No

GC-MS

Focusing trap Markes focusing trap

Focusing trap sorbent-packed UNITY-T12ME-2S Material emissions, C4 - C32

Desorb trap purge time 0.5min

Trap purge flow 20ml/min

Trap low temperature 15°C

Trap heating rate 100°C/s

Trap high (desorb) temperature 220°C

Trap desorb time 4min

Trap split Yes

Split flow 10ml/min

Column type HP-5ms -UI (Agilent)

Column flow 1ml/min

Pressure 10.55psi

Length 30m

Inner diameter 0.25mm

Film thickness 0.25μm

Carrier gas He

Temperature ramps

Number of ramps 1

GC initial temperature 35°C

GC initial temperature hold time 1.5min

GC first temperature ramp rate 5°C/min

GC final temperature 140°C

GC final temperature hold time 1 min

Mass Spectrometer detectors BenchTOF2 (SepSolve)

Filament Voltage 1.6V

Scan mass range 30-200

Data rate 10Hz

Ionisation -70eV

dark chocolate

doi:10.17617/3.KWPMMH

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Tali Weiss

Weizmann Institute of Science

The department of Brain Sciences

Sample in glass vial

20ml

Static headspace using syringe injection

Sample details

Title dark chocolate

Date of collection 2025-01-13

Collection method Sample in glass vial

Collection volume (of the vial) 20ml

Did not weight No

Mass of object sample 3g

Sample storage before sampling? No

Material state (old) Chopped

Sampling method

Sampling method Static headspace using syringe injection

Robotic automation Yes

What platform? Centri 360

Syringe volume 5ml

Heat Syringe 40°C

Total sampling volume 10ml

Enrich sample on cold trap Yes

Total number of injections 2

Enrichment delay 1min

Incubation before sampling Yes

Incubation time 2min

Incubation temperature 35°C

Agitation during the incubation period Yes

Injector temperature 150°C

Injection Time 2min

Incubation during sampling No

GC-MS

Focusing trap Markes focusing trap

Focusing trap sorbent-packed UNITY-T12ME-2S Material emissions, C4 - C32

Desorb trap purge time 1min

Trap purge flow 50ml/min

Trap low temperature 25°C

Trap heating rate 100°C/s

Trap high (desorb) temperature 220°C

Trap desorb time 4min

Trap split Yes

Split flow 10ml/min

Column type HP-5ms -UI (Agilent)

Column flow 1ml/min

Pressure 10.55psi

Length 30m

Inner diameter 0.25mm

Film thickness 0.25μm

Carrier gas He

Temperature ramps

Number of ramps 1

GC initial temperature 35°C

GC initial temperature hold time 1.5min

GC first temperature ramp rate 5°C/min

GC final temperature 140°C

GC final temperature hold time 1 min

Mass Spectrometer detectors BenchTOF2 (SepSolve)

Filament Voltage 1.6V

Scan mass range 30-200

Data rate 10Hz

Ionisation -70eV

Chives (Allium Schoenoprasum)

doi:10.17617/3.K5XMUS

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Tali Weiss

Weizmann Institute of Science

Department of Brain Sciences

Sample in glass vial

20ml

0.2g

Vacuum- assisted sorbent sampling

Sample details

Title Chives (Allium Schoenoprasum)

Date of collection 2025-09-28

Collection method Sample in glass vial

Collection volume (of the vial) 20ml

Did not weight No

Mass of object sample 0.2g

Sample storage before sampling? No

Material state (old) Fresh

Sampling method

Sampling method Vacuum- assisted sorbent sampling

Number of sorbents 2

Sorbent type Tenax GR

Sorbent amount 100

Mesh size 35/60

Sorbent type Carbograph 5TD

Sorbent amount 100

Mesh size 40/60

Sorbent tubes length for TD 89mm

Volume of the container 22000ml

Vacuum pressure in the container -0.1mPa

Sampling duration 120min

Sampling make up gas N2

Dry purge time 2min

Dry purge flow 50ml/min

TDU type Centri

Tube desorption stages 2

Desorb time 0.5min

Desorb temperature 150°C

Trap flow 50ml/min

Split on 0ml/min

Desorb time 0.5min

Desorb_temperature 240°C

Trap flow 50ml/min

Split on 0ml/min

GC-MS

Focusing trap Markes focusing trap

Focusing trap sorbent-packed UNITY-T12ME-2S Material emissions, C4 - C32

Desorb trap purge time 1min

Trap purge flow 40ml/min

Trap low temperature 10°C

Trap heating rate 100°C/s

Trap high (desorb) temperature 240°C

Trap desorb time 2min

Trap split Yes

Split flow 150ml/min

Column type DB-WAX Ultra-inert

Column flow 1.29ml/min

Pressure 14psi

Length 30m

Inner diameter 0.25mm

Film thickness 0.5μm

Carrier gas He

Temperature ramps

Number of ramps 1

GC initial temperature 35°C

GC initial temperature hold time 1min

GC first temperature ramp rate 10°C/min

GC final temperature 220°C

GC final temperature hold time 1 min

Mass Spectrometer detectors BenchTOF2 (SepSolve)

Filament Voltage 1.6V

Scan mass range 30-300

Data rate 8Hz

Ionisation -70eV

Grapes (Purple)

doi:10.17617/3.AI9MAZ

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Tali Weiss

Weizmann Institute of Science

Department of Brain Sciences

Sample in glass vial

20ml

Vacuum- assisted sorbent sampling

Sample details

Title Grapes (Purple)

Date of collection 2025-09-26

Collection method Sample in glass vial

Collection volume (of the vial) 20ml

Did not weight Yes

Sample storage before sampling? No

Material state (old) Chopped

Sampling method

Sampling method Vacuum- assisted sorbent sampling

Number of sorbents 2

Sorbent type Tenax GR

Sorbent amount 100

Mesh size 35/60

Sorbent type Carbograph 5TD

Sorbent amount 100

Mesh size 40/60

Sorbent tubes length for TD 89mm

Volume of the container 22000ml

Vacuum pressure in the container -0.1mPa

Sampling duration 180min

Sampling make up gas N2

Dry purge time 2min

Dry purge flow 50ml/min

TDU type Centri

Tube desorption stages 2

Desorb time 2min

Desorb temperature 150°C

Trap flow 50ml/min

Split on 0ml/min

Desorb time 2min

Desorb_temperature 240°C

Trap flow 50ml/min

Split on 0ml/min

GC-MS

Focusing trap Markes focusing trap

Focusing trap sorbent-packed UNITY-T12ME-2S Material emissions, C4 - C32

Desorb trap purge time 1min

Trap purge flow 40ml/min

Trap low temperature 10°C

Trap heating rate 100°C/s

Trap high (desorb) temperature 240°C

Trap desorb time 2min

Trap split Yes

Split flow 40ml/min

Column type DB-WAX Ultra-inert

Column flow 1.29ml/min

Pressure 14psi

Length 30m

Inner diameter 0.25mm

Film thickness 0.5μm

Carrier gas He

Temperature ramps

Number of ramps 1

GC initial temperature 35°C

GC initial temperature hold time 1min

GC first temperature ramp rate 10°C/min

GC final temperature 220°C

GC final temperature hold time 1 min

Mass Spectrometer detectors BenchTOF2 (SepSolve)

Filament Voltage 1.6V

Scan mass range 30-300

Data rate 8Hz

Ionisation -70eV