ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008825
RECORD_TITLE: PERYLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU 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$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-0090000000-4e8dd93281398fcb4c89
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  34 1.26 13
  40 2.52 25
  44 8.53 85
  250 1.61 16
  252 99.99 999
  253 22.52 225
  254 2.71 27
//