ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011664
RECORD_TITLE: PYRENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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: NIKKAJI J2.940H
CH$LINK: INCHIKEY BBEAQIROQSPTKN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3024289

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-0udi-1290000000-1f9a049804cf2fb46ba3
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  18 1.36 14
  74 1.09 11
  75 1.23 12
  78 5.07 51
  87 2.76 28
  88 4.58 46
  99 2.15 22
  100 12.05 121
  101 17.91 179
  102 3 30
  150 1.14 11
  174 1.67 17
  175 1.24 12
  198 1.86 19
  199 2.73 27
  200 15.5 155
  201 13.04 130
  202 99.99 999
  203 17.94 179
  204 1.42 14
//