ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012378
RECORD_TITLE: PICENE; 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$NAME: PICENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₁₄
CH$EXACT_MASS: 278.10955
CH$SMILES: c(c5)cc(c4)c(c5)c(c3)c(c4)c(c1)c(c3)c(c2)c(ccc2)c1
CH$IUPAC: InChI=1S/C22H14/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21/h1-14H
CH$LINK: CAS 213-46-7
CH$LINK: INCHIKEY GBROPGWFBFCKAG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8073895

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$SPLASH: splash10-004i-0092000000-3a5b91af92bb36e0517b
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  278 12.36 124
  279 99.99 999
  280 23.94 239
  281 8.31 83
  282 1.93 19
  307 24.76 248
  308 6.44 64
  309 1.95 20
  319 4.5 45
  320 1.4 14
//