ACCESSION: MSBNK-EPA-ENTACT_AGILENT002397
RECORD_TITLE: 5,6-Benzoflavone; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-00or-0910000000-1a6be090f7dd9badd264
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  51.022927 1.043815 10
  68.997106 4.986002 49
  77.038577 13.543572 135
  101.038577 2.169693 21
  103.054227 20.614314 205
  105.033491 4.134518 41
  115.054227 100.000003 999
  126.046402 2.047431 20
  127.054227 92.837864 927
  129.033491 54.881294 548
  143.049141 15.245034 152
  171.044056 28.427239 283
  202.077702 22.427526 224
  215.085527 8.604278 85
  216.093352 3.294327 32
  217.101177 6.123697 61
  226.077702 3.809961 38
  227.085527 2.431884 24
  228.093352 3.412379 34
  273.091006 19.77177 197
//