ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012368
RECORD_TITLE: BENZO(A)PYRENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
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$LINK: CAS 50-32-8
CH$LINK: INCHIKEY FMMWHPNWAFZXNH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2020139

AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-0udi-0090000000-aebdc23a6e4cb494681e
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  252 37.69 377
  253 99.99 999
  254 21.38 214
  255 5.42 54
  267 1.6 16
  281 15.58 156
  282 3.71 37
  283 1.45 15
  293 2.36 24
//