ACCESSION: MSBNK-EPA-ENTACT_AGILENT000123
RECORD_TITLE: 2-Hydroxybenzonitrile; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-014l-9800000000-c0a3223e4fe396f61e39
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  41.003288 3.429974 34
  41.998537 32.53994 325
  50.003623 9.782784 97
  64.019273 6.38437 63
  90.034923 56.389607 563
  118.029837 100 999
//