ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001603
RECORD_TITLE: 2,3-BENZPHENANTHRENE; 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$NAME: 2,3-BENZPHENANTHRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₂
CH$EXACT_MASS: 228.09390
CH$SMILES: c(c4)cc(c3)c(c4)cc(c13)c(c2)c(ccc2)cc1
CH$IUPAC: InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H
CH$LINK: CAS 56-55-3
CH$LINK: INCHIKEY DXBHBZVCASKNBY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5023902

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$SPLASH: splash10-01t9-1790000000-a4cb0dc693f64e392766
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  50 1.02 10
  51 1.19 12
  63 2.22 22
  74 1.88 19
  75 4.96 50
  76 4.1 41
  87 4.96 50
  88 10.95 110
  99 4.28 43
  100 17.46 175
  101 23.97 240
  111 2.22 22
  112 17.97 180
  113 38.86 389
  114 47.08 471
  115 1.19 12
  200 2.91 29
  201 1.36 14
  202 3.25 33
  224 6.16 62
  225 5.3 53
  226 25.68 257
  227 10.1 101
  228 99.99 999
  229 19.52 195
  230 1.88 19
//