ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001997
RECORD_TITLE: 1,6-DINITROCARBAZOLE; 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$NAME: 1,6-DINITROCARBAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H7N3O4
CH$EXACT_MASS: 257.04366
CH$SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])NC3=C2C=C(C=C3)[N+](=O)[O-]
CH$IUPAC: InChI=1S/C12H7N3O4/c16-14(17)7-4-5-10-9(6-7)8-2-1-3-11(15(18)19)12(8)13-10/h1-6,13H
CH$LINK: INCHIKEY MEFATMTVUAOEJH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40910795
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$SPLASH: splash10-0a4l-9240000000-ab27592feda78968ab3e
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  39 6.4 64
  40 1.2 12
  41 33.6 336
  42 1.04 10
  43 57.9 579
  51 1.2 12
  53 1.8 18
  54 0.38 4
  55 37 370
  56 9 90
  57 40 400
  58 0.13 1
  59 1.2 12
  60 7.9 79
  61 1.5 15
  65 0.1 1
  67 9 90
  68 5.3 53
  69 25.7 257
  70 0.64 6
  71 14.8 148
  72 1 10
  73 7.1 71
  74 0.12 1
  77 1.8 18
  79 2 20
  80 1.8 18
  81 0.97 10
  82 5.3 53
  83 15.8 158
  84 8.4 84
  85 0.69 7
  87 1.3 13
  91 1.6 16
  93 2 20
  94 0.15 2
  95 6.7 67
  96 4.6 46
  97 11.2 112
  98 0.64 6
  99 1.6 16
  107 1.8 18
  109 2.8 28
  110 0.2 2
  111 4.3 43
  112 1.8 18
  113 1 10
  115 0.12 1
  121 1.2 12
  123 1.8 18
  124 1.2 12
  125 0.16 2
  126 1.3 13
  127 1.3 13
  129 2.6 26
  135 0.1 1
  137 2.6 26
  138 4.1 41
  139 1.6 16
  152 0.31 3
  153 3.5 35
  154 1.5 15
  163 1.2 12
  164 2.12 21
  165 16.3 163
  166 2 20
  167 1.3 13
  180 0.13 1
  181 12.2 122
  182 1.5 15
  183 1.8 18
  184 0.41 4
  194 1.2 12
  210 1.2 12
  211 36.8 368
  212 0.28 3
  226 4.1 41
  227 26.2 262
  228 1.8 18
  236 0.15 2
  239 1 10
  257 99.99 999
  258 8.6 86
//
