ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003340
RECORD_TITLE: BENZO(A)PYRENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: BENZO(A)PYRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₂
CH$EXACT_MASS: 252.09390
CH$SMILES: c(c5)cc(c4)c(c5)c(c1)c(c34)c(c2cc3)c(ccc2)c1
CH$IUPAC: InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
CH$LINK: INCHIKEY FMMWHPNWAFZXNH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2020139

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-0390000000-d87401bcab72c45a1d87
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  124 7.7 77
  125 15.5 155
  126 23.8 238
  250 16.7 167
  251 4.9 49
  252 99.99 999
  253 11.9 119
//