ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001998
RECORD_TITLE: 3,6-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$NAME: 3,6-DINITROCARBAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H7N3O4
CH$EXACT_MASS: 257.04366
CH$SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C3=C(N2)C=CC(=C3)[N+](=O)[O-]
CH$IUPAC: InChI=1S/C12H7N3O4/c16-14(17)7-1-3-11-9(5-7)10-6-8(15(18)19)2-4-12(10)13-11/h1-6,13H
CH$LINK: COMPTOX DTXSID80186179
CH$LINK: INCHIKEY IARXLBTXILYASE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:76730
AC$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: splash10-0bt9-8970000000-e69514b2188f1abd1049
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  28 16.6 166
  29 8 80
  30 2.8 28
  39 0.44 4
  41 15.8 158
  42 5.3 53
  43 26.6 266
  44 2.58 26
  45 3.3 33
  51 1.9 19
  53 1.7 17
  54 0.22 2
  55 15.8 158
  56 4.7 47
  57 15.5 155
  60 0.44 4
  61 4.2 42
  63 2.2 22
  68 2.8 28
  69 1.25 13
  70 3 30
  71 6.7 67
  73 4.7 47
  74 0.22 2
  75 1.7 17
  77 3 30
  79 1.4 14
  81 0.47 5
  82 2.2 22
  83 6.1 61
  84 5.5 55
  85 0.39 4
  86 1.7 17
  87 2.5 25
  95 3.3 33
  96 0.19 2
  97 5 50
  98 4.4 44
  99 1.9 19
  109 0.19 2
  110 1.7 17
  111 3.3 33
  112 2.2 22
  113 0.17 2
  114 1.7 17
  115 1.4 14
  123 1.9 19
  125 0.17 2
  126 2.8 28
  127 1.9 19
  129 2.5 25
  137 0.42 4
  138 9.1 91
  139 2.8 28
  152 2.8 28
  153 0.58 6
  154 2.2 22
  164 61.4 614
  165 59.1 591
  166 0.19 2
  180 1.9 19
  181 34.9 349
  182 2.5 25
  197 0.14 1
  211 31.6 316
  212 2.2 22
  226 2.5 25
  227 3.41 34
  228 2.5 25
  239 1.9 19
  257 99.99 999
  258 11.2 112
//
