ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012369
RECORD_TITLE: BENZO(E)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$NAME: BENZO(E)PYRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₂
CH$EXACT_MASS: 252.09390
CH$SMILES: c(c5)cc(c(c5)1)c(c4)c(c(cc4)3)c(c2cc3)c(ccc2)1
CH$IUPAC: InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H
CH$LINK: CAS 192-97-2
CH$LINK: INCHIKEY TXVHTIQJNYSSKO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3023764

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$SPLASH: splash10-0udi-0090000000-057dde1b8cc3d08819d3
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  252 17.42 174
  253 99.99 999
  254 20.71 207
  255 2.95 30
  281 19.33 193
  282 4.63 46
  293 3.48 35
//