MassBank Record: MSBNK-EPA-ENTACT_AGILENT000466
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
//