ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001606
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$LINK: CAS 50-32-8
CH$LINK: INCHIKEY FMMWHPNWAFZXNH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2020139

AC$INSTRUMENT: VARIAN MAT-44
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-0590000000-6a1e4169eaee2450b6aa
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  63 1.31 13
  74 1.31 13
  84 1.83 18
  87 1.57 16
  99 2.62 26
  100 3.67 37
  101 1.04 10
  111 4.46 45
  112 15.74 157
  113 25.45 255
  123 2.62 26
  124 17.58 176
  125 27.03 270
  126 30.7 307
  127 1.83 18
  198 1.31 13
  200 1.83 18
  222 1.83 18
  223 1.57 16
  224 5.24 52
  225 3.41 34
  226 3.67 37
  227 1.31 13
  228 1.04 10
  247 1.57 16
  248 5.77 58
  249 4.98 50
  250 24.14 241
  251 13.38 134
  252 99.99 999
  253 24.4 244
  254 3.41 34
//