ACCESSION: MSBNK-EPA-ENTACT_AGILENT002396
RECORD_TITLE: 5,6-Benzoflavone; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 5,6-Benzoflavone
CH$NAME: DTXSID8030423
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₂O₂
CH$EXACT_MASS: 272.0837296274
CH$SMILES: O=C1C=C(OC2C=CC3C=CC=CC=3C=21)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H
CH$LINK: CAS 6051-87-2
CH$LINK: INCHIKEY OUGIDAPQYNCXRA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2361

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 273.0910060791
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-0090000000-d76d73f5561e1adc7f74
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  115.054227 1.520766 15
  127.054227 1.077231 10
  129.033491 1.657162 16
  171.044056 2.781624 27
  273.091006 99.999999 999
//