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MassBank Record: MSBNK-EPA-ENTACT_AGILENT000556

2-Hydroxybenzophenone; ESI-QTOF; MS2; CE: 40; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT000556
RECORD_TITLE: 2-Hydroxybenzophenone; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Hydroxybenzophenone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H10O2
CH$EXACT_MASS: 198.0680795636
CH$SMILES: OC1=CC=CC=C1C(=O)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C13H10O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,14H
CH$LINK: CAS 117-99-7
CH$LINK: INCHIKEY HJIAMFHSAAEUKR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8348

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$FOCUSED_ION: PRECURSOR_M/Z 197.0608031119
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004l-9100000000-f3c2f950c95eee4eab1a
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  41.003288 5.685564 56
  42.011113 1.129808 11
  44.998203 2.119251 21
  59.013853 3.324137 33
  65.003288 3.204533 32
  71.013853 3.249309 32
  77.039674 99.999997 999
  90.011113 1.625258 16
  91.018938 6.838183 68
  92.026763 79.093121 790
  92.063149 1.518888 15
  93.034588 2.678946 26
  101.039674 3.844202 38
  108.021678 2.69782 26
  121.029503 7.389455 73
  141.070974 3.908362 39
  151.055324 1.337874 13
  169.065888 3.169185 31
  195.045153 2.732133 27
  197.060803 2.135244 21
//

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