MassBank Record: MSBNK-BAFG-CSL2311096321
ACCESSION: MSBNK-BAFG-CSL2311096321
RECORD_TITLE: 2-Hydroxy-N-phenylpropanamide; LC-ESI-QTOF; MS2; 20 V
DATE: 2023.11.09
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$NAME: 2-Hydroxy-N-phenylpropanamide
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C9H11NO2
CH$EXACT_MASS: 165.079
CH$SMILES: CC(C(=O)NC1=CC=CC=C1)O
CH$IUPAC: InChI=1S/C9H11NO2/c1-7(11)9(12)10-8-5-3-2-4-6-8/h2-7,11H,1H3,(H,10,12)
CH$LINK: CAS
6252-10-4
CH$LINK: INCHIKEY
NXHFPNVCAZMTSG-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$MASS_SPECTROMETRY: COLLISION_ENERGY 20
AC$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 6.608 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 166.0863
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: splash10-00di-2900000000-414b744bbccb9bdf8974
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
45.042 0.5 9
77.0429 1.7 31
92.0532 0.5 9
93.0682 0.8 15
94.068 20.7 389
103.0559 3.5 65
105.0718 3.2 60
106.0679 0.6 11
118.0672 1 18
120.0465 1.2 22
120.0836 53.1 999
148.0779 15.4 289
166.0899 7.1 133
//