ACCESSION: MSBNK-EPA-ENTACT_AGILENT000121
RECORD_TITLE: 2-Hydroxybenzonitrile; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Hydroxybenzonitrile
CH$NAME: DTXSID3041661
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅NO
CH$EXACT_MASS: 119.0371137892
CH$SMILES: N#CC1C=CC=CC=1O
CH$IUPAC: InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
CH$LINK: CAS 611-20-1
CH$LINK: INCHIKEY CHZCERSEMVWNHL-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11907

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 118.0298373375
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udl-9000000000-0b3cc348a3cb0e48ce8d
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  39.024024 8.496088 84
  40.019273 12.463878 124
  41.003288 19.206138 191
  41.998537 26.180201 261
  49.008374 2.302811 23
  50.003623 99.999998 999
  63.011448 1.523795 15
  64.019273 36.922793 368
  65.003288 2.654267 26
  65.998537 1.011482 10
  74.003623 2.44504 24
  76.019273 1.261876 12
  88.019273 1.268075 12
  89.027098 1.838872 18
  90.034923 12.579582 125
  118.029837 1.032013 10
//