ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012376
RECORD_TITLE: INDENO(1,2,3-C,D)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$NAME: INDENO(1,2,3-C,D)PYRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₁₂
CH$EXACT_MASS: 276.09390
CH$SMILES: c(c6)cc(c(c6)5)c(c4)c(c15)c(c3c4)c(c2cc3)c(ccc2)c1
CH$IUPAC: InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H
CH$LINK: CAS 193-39-5
CH$LINK: INCHIKEY SXQBHARYMNFBPS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8024153

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$SPLASH: splash10-004i-0091000000-1c7d471e43711b52601e
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  276 24.41 244
  277 99.99 999
  278 24.35 244
  279 5.62 56
  280 1.03 10
  305 21.83 218
  306 5.62 56
  307 1.5 15
  317 3.99 40
  318 1.05 11
//