ACCESSION: MSBNK-EPA-ENTACT_AGILENT000468
RECORD_TITLE: Resorcinol monobenzoate; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-004i-9100000000-f437b874c8286de62f79
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  41.003288 11.141525 111
  63.024024 1.994432 19
  65.003288 6.738641 67
  65.039674 1.029528 10
  67.018938 3.773009 37
  77.039674 99.999998 999
  91.018938 6.275901 62
  101.039674 2.21706 22
  121.029503 7.532933 75
  141.070974 1.841613 18
  143.050238 1.914946 19
  169.065888 1.205978 12
//