ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011275
RECORD_TITLE: PYRENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$LINK: INCHIKEY BBEAQIROQSPTKN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3024289

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0udi-0190000000-ab79745741c952b34e15
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  39 1.12 11
  50 1.11 11
  63 1.38 14
  74 1.48 15
  75 1.38 14
  87 1.89 19
  88 2.14 21
  99 1.25 13
  100 4.85 49
  101 7.2 72
  102 1.22 12
  150 1.2 12
  174 1.64 16
  175 1 10
  198 1.51 15
  199 2.06 21
  200 10.33 103
  201 9.16 92
  202 99.99 999
  203 19.17 192
  204 2.31 23
//