ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012367
RECORD_TITLE: PERYLENE; 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$NAME: PERYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₂
CH$EXACT_MASS: 252.09390
CH$SMILES: c(c5)cc(c21)c(c54)c(ccc4)c(c3)c(c(cc3)ccc2)1
CH$IUPAC: InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H
CH$LINK: CAS 198-55-0
CH$LINK: INCHIKEY CSHWQDPOILHKBI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4047753

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$SPLASH: splash10-0udi-0090000000-f1649f336437ccb13267
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  252 42.61 426
  253 99.99 999
  254 20.9 209
  255 2.66 27
  281 11.54 115
  282 2.63 26
//