ACCESSION: MSBNK-EPA-ENTACT_AGILENT001471
RECORD_TITLE: N-Phenylglycine; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-Phenylglycine
CH$NAME: DTXSID0027806
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₉NO₂
CH$EXACT_MASS: 151.0633285391
CH$SMILES: OC(=O)CNC1C=CC=CC=1
CH$IUPAC: InChI=1S/C8H9NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
CH$LINK: CAS 103-01-5
CH$LINK: INCHIKEY NPKSPKHJBVJUKB-UHFFFAOYSA-N

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 150.0560520874
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-3900000000-046ce13b6c9fad7a3f06
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  41.998537 19.889 198
  44.998203 1.210163 12
  77.039674 23.212294 231
  92.050573 20.343582 203
  104.050573 9.24582 92
  106.066223 100.000004 999
  150.056052 43.025686 429
//