ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004838
RECORD_TITLE: PYRENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: PYRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₀
CH$EXACT_MASS: 202.07825
CH$SMILES: c(c4)cc(c3)c(c41)c(c2c3)c(ccc2)cc1
CH$IUPAC: InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
CH$LINK: CAS 129-00-0
CH$LINK: INCHIKEY BBEAQIROQSPTKN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3024289

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0udi-0390000000-aed9be9c54a99a10a772
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  58 1.35 14
  73 1.67 17
  74 1.02 10
  75 1.69 17
  87 3.22 32
  88 4.93 49
  99 2.25 23
  100 14.81 148
  101 21.77 218
  102 3.63 36
  150 1.38 14
  167 1.3 13
  174 1.8 18
  175 1.43 14
  198 2.01 20
  199 3.28 33
  200 17.71 177
  201 15.08 151
  202 99.99 999
  203 17.5 175
  204 1.67 17
//