MassBank Record: MSBNK-BAFG-CSL2311109578
ACCESSION: MSBNK-BAFG-CSL2311109578
RECORD_TITLE: 2-Hydroxy-N-phenylacetamide; LC-ESI-QTOF; MS2; 30 V
DATE: 2023.11.10
AUTHORS: Kevin S. Jewell; Björn Ehlig; Arne Wick
LICENSE: dl-de/by-2-0
COPYRIGHT: Copyright 2023 Federal Institute of Hydrology, Koblenz, Germany
COMMENT: CONFIDENCE Reference Standard (Level 1)
COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
COMMENT: Acquisition method: 10.1002/rcm.8541
CH$NAME: 2-Hydroxy-N-phenylacetamide
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C8H9NO2
CH$EXACT_MASS: 151.0633
CH$SMILES: C1=CC=C(C=C1)NC(=O)CO
CH$IUPAC: InChI=1S/C8H9NO2/c10-6-8(11)9-7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)
CH$LINK: CAS
4746-61-6
CH$LINK: INCHIKEY
PJFNNMFXEVADGK-UHFFFAOYSA-N
AC$INSTRUMENT: TripleTOF 5600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 °C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 0 min min 98% A, 1 min 98% A, 2 min 80% A, 16.5 min 2% A, 22 min 2% A, 22.1 min 98% A, 27 min 98% A
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 5.896 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 152.0706
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1
PK$SPLASH: splash10-0a6u-9500000000-e8acdb275d08e73d0ca8
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
65.0453 0.4 13
77.0441 17 566
78.0508 1 33
79.059 8.9 296
91.0572 2 66
93.0604 1.2 39
94.0687 26.4 879
104.0533 2.1 69
106.0674 30 999
134.0578 0.5 16
//