MassBank Record: MSBNK-BAFG-CSL2311096327
ACCESSION: MSBNK-BAFG-CSL2311096327
RECORD_TITLE: 2-Hydroxy-N-phenylpropanamide; LC-ESI-QTOF; MS2; 40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$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: splash10-00b9-9600000000-8ef710fab6e5204eaf36
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
65.0424 0.6 33
77.0432 18.1 999
78.0505 0.7 38
79.0593 0.9 49
91.057 1.9 104
92.0529 1.3 71
93.0643 2.6 143
94.0677 4.5 248
103.0566 5.8 320
105.0716 0.6 33
118.0673 3.3 182
119.0735 1.1 60
120.0831 11.4 629
//