ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011065
RECORD_TITLE: BENZO(C)CINNOLINE; 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$NAME: BENZO(C)CINNOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₈N₂
CH$EXACT_MASS: 180.06875
CH$SMILES: c(c3)cc(n1)c(c3)c(c2)c(ccc2)n1
CH$IUPAC: InChI=1S/C12H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H
CH$LINK: CAS 230-17-1
CH$LINK: INCHIKEY SWJXWSAKHXBQSY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8074289

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0ue9-2900000000-d416d08b10179a8ca33e
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 1.15 12
  38 1.95 20
  39 4.97 50
  50 5.59 56
  51 4.63 46
  52 1.44 14
  61 1.89 19
  62 4.69 47
  63 12.47 125
  64 1.04 10
  74 8.74 87
  75 9.58 96
  76 13.28 133
  77 1.76 18
  85 1.03 10
  86 3.69 37
  87 6.13 61
  88 1.15 12
  98 4.25 43
  99 3.8 38
  100 2.61 26
  101 1.4 14
  102 3.98 40
  111 1.39 14
  113 1.51 15
  125 2.85 29
  126 15.5 155
  127 1.69 17
  149 1.34 13
  150 18.21 182
  151 34.54 345
  152 99.99 999
  153 13.12 131
  180 90.88 909
  181 12.84 128
//