ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001999
RECORD_TITLE: 3-NITROCARBAZOLE; 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$NAME: 3-NITROCARBAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H8N2O2
CH$EXACT_MASS: 212.05858
CH$SMILES: C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)[N+](=O)[O-]
CH$IUPAC: InChI=1S/C12H8N2O2/c15-14(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7,13H
CH$LINK: INCHIKEY ZYNHZTIMNJKVLK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90184787
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$SPLASH: splash10-03xr-9880000000-978f7088e00a5e4d98c4
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  39 3.2 32
  41 11.2 112
  42 1.6 16
  43 1.85 19
  51 1.5 15
  54 1.1 11
  55 13.4 134
  56 0.28 3
  57 17.3 173
  60 4.1 41
  61 1 10
  62 0.12 1
  63 3 30
  67 2.7 27
  68 2.3 23
  69 2.55 26
  70 3.2 32
  71 7.6 76
  73 4.4 44
  74 0.14 1
  75 1.6 16
  77 1.1 11
  81 7.4 74
  82 0.3 3
  83 8.8 88
  84 3 30
  85 4 40
  86 0.1 1
  87 2.2 22
  88 1.1 11
  89 1.1 11
  95 0.27 3
  96 2.3 23
  97 5.5 55
  98 2.4 24
  99 0.12 1
  101 1.1 11
  109 1.4 14
  110 1.3 13
  111 0.25 3
  112 1 10
  113 2.3 23
  114 1.2 12
  115 0.13 1
  123 1.2 12
  125 1 10
  127 1.8 18
  128 0.1 1
  129 1.6 16
  137 2.9 29
  138 3.6 36
  139 3.65 37
  140 7.9 79
  153 1.5 15
  154 4.2 42
  164 0.45 5
  165 3.9 39
  166 66.6 666
  167 5.3 53
  182 0.94 9
  183 1 10
  211 1.3 13
  212 99.99 999
  213 8.8 88
//
