ACCESSION: MSBNK-EPA-ENTACT_AGILENT000466
RECORD_TITLE: Resorcinol monobenzoate; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Resorcinol monobenzoate
CH$NAME: DTXSID1038878
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₀O₃
CH$EXACT_MASS: 214.0629941859
CH$SMILES: OC1=CC(=CC=C1)OC(=O)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C13H10O3/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-9,14H
CH$LINK: CAS 136-36-7
CH$LINK: INCHIKEY GDESWOTWNNGOMW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8690

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$FOCUSED_ION: PRECURSOR_M/Z 213.0557177342
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-01b9-2900000000-44201176d1df369531a3
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  41.003288 2.075643 20
  67.018938 2.687765 26
  77.039674 48.659964 486
  91.018938 5.582916 55
  108.021678 1.402861 14
  121.029503 80.560366 804
  121.065888 1.490463 14
  135.008768 1.835327 18
  141.070974 3.189092 31
  143.050238 6.587217 65
  154.042413 5.10625 51
  167.050238 1.283663 12
  169.065888 99.999998 999
  171.045153 3.143827 31
  213.055718 3.045867 30
//