ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001584
RECORD_TITLE: AZULENE; 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$NAME: AZULENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₈
CH$EXACT_MASS: 128.06260
CH$SMILES: C(=C2)C=CC(=C1)C(=C2)C=C1
CH$IUPAC: InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
CH$LINK: CAS 275-51-4
CH$LINK: INCHIKEY CUFNKYGDVFVPHO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2059770

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$SPLASH: splash10-004i-5900000000-9c12163018de963589b1
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  43 2.36 24
  49 2.96 30
  50 12.93 129
  51 18.92 189
  52 2.76 28
  61 2.6 26
  62 7.04 70
  63 13.66 137
  64 9.33 93
  73 2.26 23
  74 7.49 75
  75 8.04 80
  76 8.63 86
  77 8.01 80
  78 5.35 54
  86 1.66 17
  87 1.78 18
  98 1.74 17
  99 1.1 11
  100 1.71 17
  101 8.45 85
  102 12.75 128
  103 1.34 13
  125 2.64 26
  126 13.63 136
  127 41.56 416
  128 99.99 999
  129 12.1 121
//