ACCESSION: MSBNK-EPA-ENTACT_AGILENT001088
RECORD_TITLE: 4-Hydroxybenzonitrile; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Hydroxybenzonitrile
CH$NAME: DTXSID9052509
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅NO
CH$EXACT_MASS: 119.0371137892
CH$SMILES: N#CC1C=CC(O)=CC=1
CH$IUPAC: InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
CH$LINK: CAS 767-00-0
CH$LINK: INCHIKEY CVNOWLNNPYYEOH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:13019

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$SPLASH: splash10-0udl-9000000000-844a00c6e76e8e757617
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  39.024024 4.763466 47
  40.019273 3.023164 30
  41.003288 16.332395 163
  49.008374 2.819607 28
  50.003623 100.000004 999
  63.011448 5.209798 52
  63.024024 1.744775 17
  64.019273 18.060959 180
  65.003288 2.752658 27
  65.998537 1.133986 11
  67.018938 2.910267 29
  74.003623 1.204115 12
  88.019273 13.280377 132
  89.027098 18.503086 184
  90.034923 52.500242 524
  92.014187 4.407104 44
  118.029837 12.703157 126
//