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MB Sample ID: SA099426

Local Sample ID:P17_t0
Subject ID:SU001443
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606

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Combined analysis:

Analysis ID AN002283 AN002284 AN002285
Analysis type MS MS MS
Chromatography type Reversed phase Reversed phase GC
Chromatography system Agilent 1200 Agilent 1200 Agilent 7890A
Column Discovery HS C18 (150 x 2.1mm,3.0um) Supelco,Sigma Aldrich,Germany),with a guard Discovery HS C18 (2 cm x 2.1mm,3um; Supelco,Sigma Aldrich,Germany), Discovery HS C18 (150 x 2.1mm,3.0um) Supelco,Sigma Aldrich,Germany) GC-Column DB5-MS (30 m length, 0.25 mm i.d., 0.25 μm film 95% dimethyl/5% diphenylpolysiloxane) with an integrated precolumn (10 m J&W, Agilent)
MS Type ESI ESI EI
MS instrument type QTOF QTOF Single quadrupole
MS instrument name Agilent 6520 QTOF Agilent 6520 QTOF Agilent 5975C
Ion Mode POSITIVE NEGATIVE POSITIVE
Units peak area peak area peak area

MS:

MS ID:MS002127
Analysis ID:AN002283
Instrument Name:Agilent 6520 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:LC−MS analysis was performed on an Agilent HPLC system (1200 series, Agilent Technologies, Waldbronn, Germany), equipped with a degasser, two binary pumps, and a thermostated autosampler coupled with quadrupole-time of flight analyzer (Q-TOF), LC-MS (6520) system (Agilent Technologies, Waldbronn, Germany)
Ion Mode:POSITIVE
Capillary Voltage:3,500 for ESI (+)
Dry Gas Flow:10.5 L/min
Dry Gas Temp:330 °C
Fragment Voltage:175 V
Nebulizer:52 psi
Octpole Voltage:750V
  
MS ID:MS002128
Analysis ID:AN002284
Instrument Name:Agilent 6520 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:LC−MS analysis was performed on an Agilent HPLC system (1200 series, Agilent Technologies, Waldbronn, Germany), equipped with a degasser, two binary pumps, and a thermostated autosampler coupled with quadrupole-time of flight analyzer (Q-TOF), LC-MS (6520) system (Agilent Technologies, Waldbronn, Germany)
Ion Mode:NEGATIVE
Capillary Voltage:4,000V for ESI (−)
Dry Gas Flow:10.5 L/min
Dry Gas Temp:330 °C
Fragment Voltage:175 V
Nebulizer:52 psi
Octpole Voltage:750V
  
MS ID:MS002129
Analysis ID:AN002285
Instrument Name:Agilent 5975C
Instrument Type:Single quadrupole
MS Type:EI
MS Comments:GC-MS analysis was performed by a GC system (Agilent Technologies 7890A) equipped with an autosampler (Agilent 7693) coupled to a mass spectrometer with triple-Axis detector (5975C, Agilent).
Ion Mode:POSITIVE
Helium Flow:1 mL/min
Ionization Energy:-70 eV
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