ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004412
RECORD_TITLE: 6-NITRO-2-PHENYLINDOLIZINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 6-NITRO-2-PHENYLINDOLIZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₀N₂O₂
CH$EXACT_MASS: 238.07423
CH$SMILES: [O-1][N+1](=O)C(C=3)=Cn(c1)c(C3)cc1c(c2)cccc2
CH$IUPAC: InChI=1S/C14H10N2O2/c17-16(18)14-7-6-13-8-12(9-15(13)10-14)11-4-2-1-3-5-11/h1-10H
CH$LINK: INCHIKEY MAHPGNZUNZRRFK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60326551

AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000i-3970000000-51a6e5bd71b3e3c083d3
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  50 2.7 27
  51 4.3 43
  62 2.7 27
  63 0.85 9
  64 1 10
  65 1.3 13
  69.5 4.9 49
  74 0.22 2
  75 2.4 24
  76 2.8 28
  77 3.4 34
  81.5 0.25 3
  82 3 30
  82.5 7.7 77
  86 1.3 13
  87 0.25 3
  88 1.6 16
  89 3.5 35
  90 1.8 18
  95.5 0.52 5
  96 2.5 25
  102 3.5 35
  113 2 20
  114 0.16 2
  115 8.4 84
  119 3 30
  126 1.7 17
  127 0.12 1
  139 6.4 64
  140 2.2 22
  151 1.1 11
  152 0.39 4
  153 1.2 12
  154 1 10
  162 1.2 12
  163 1.01 10
  164 10 100
  165 25.4 254
  166 5.8 58
  177 0.18 2
  181 2.7 27
  190 10 100
  191 29.1 291
  192 6.84 68
  193 15.6 156
  194 1.3 13
  208 1.2 12
  238 99.99 999
  239 16.8 168
//