ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012361
RECORD_TITLE: BENZO(C)PHENANTHRENE; 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$NAME: BENZO(C)PHENANTHRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₂
CH$EXACT_MASS: 228.09390
CH$SMILES: c(c4)cc(c3)c(c4)c(c1c3)c(c2)c(ccc2)cc1
CH$IUPAC: InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H
CH$LINK: CAS 195-19-7
CH$LINK: INCHIKEY TUAHORSUHVUKBD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4075459

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$SPLASH: splash10-004i-0090000000-62d77bdfa3874aebf048
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  228 13.22 132
  229 99.99 999
  230 18.96 190
  231 2.23 22
  257 19.89 199
  258 4.38 44
  269 4.01 40
//