ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001605
RECORD_TITLE: PERYLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
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$INSTRUMENT: VARIAN MAT-44
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-0590000000-ef668c5347a74018af09
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  74 1.21 12
  84 1.82 18
  99 1.21 12
  100 1.52 15
  111 3.04 30
  112 8.53 85
  113 8.23 82
  123 3.35 34
  124 17.07 171
  125 31.09 311
  126 28.35 284
  127 1.52 15
  222 1.21 12
  223 1.21 12
  224 2.74 27
  225 2.13 21
  247 1.52 15
  248 6.7 67
  249 5.48 55
  250 27.43 274
  251 12.19 122
  252 99.99 999
  253 19.51 195
  254 2.43 24
//