ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005059
RECORD_TITLE: 3,6-DIACETYL-9-METHYLCARBAZOLE; 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$NAME: 3,6-DIACETYL-9-METHYLCARBAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H15NO2
CH$EXACT_MASS: 265.11028
CH$SMILES: CC(=O)c(c3)cc(c(c3)1)c(c2)c(ccc(C(C)=O)2)n(C)1
CH$IUPAC: InChI=1S/C17H15NO2/c1-10(19)12-4-6-16-14(8-12)15-9-13(11(2)20)5-7-17(15)18(16)3/h4-9H,1-3H3
CH$LINK: INCHIKEY RINUGYQZSCXUFU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10347271
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$SPLASH: splash10-0uxr-3290000000-6e151ff37e1cf203e936
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
  39 2.2 22
  41 6.7 67
  42 2.2 22
  43 1.23 12
  44 14.6 146
  45 4 40
  53 1.1 11
  54 0.15 2
  55 7.9 79
  56 3.3 33
  57 7.9 79
  60 0.36 4
  67 3.1 31
  68 2.1 21
  69 7.6 76
  70 0.27 3
  71 4.5 45
  73 3 30
  76 2.2 22
  77 0.15 2
  79 1.6 16
  81 4.4 44
  82 2.6 26
  83 0.46 5
  84 2.3 23
  85 2.9 29
  87 1.3 13
  89 0.17 2
  89.5 3.3 33
  91 1.7 17
  93 1.4 14
  95 0.33 3
  96 2.2 22
  97 4 40
  98 2.4 24
  99 0.13 1
  103.5 1.9 19
  105 1.2 12
  107 1.1 11
  109 0.2 2
  110 1.3 13
  111 3.3 33
  112 1.2 12
  113 0.11 1
  115 1.2 12
  117.5 1.3 13
  118 2.5 25
  121 0.12 1
  123 1.6 16
  125 2.2 22
  126 1.4 14
  127 0.13 1
  128 1.2 12
  129 1.9 19
  137 1.9 19
  138 0.14 1
  139 1.3 13
  149 4.5 45
  150 2.5 25
  151 0.5 5
  152 6.7 67
  153 2.7 27
  163 1.1 11
  164 0.41 4
  165 1.9 19
  176 1 10
  177 3.5 35
  178 0.79 8
  179 9.2 92
  180 2.3 23
  191 1.6 16
  192 0.23 2
  193 3.7 37
  194 1.4 14
  197 1.3 13
  198 0.1 1
  206 1.6 16
  207 31.6 316
  208 6.1 61
  220 0.1 1
  221 2 20
  222 4.7 47
  223 1.3 13
  235 0.14 1
  236 3.6 36
  237 1.4 14
  248 1.1 11
  249 0.24 2
  250 99.99 999
  251 21.1 211
  252 2.6 26
  264 0.27 3
  265 57.9 579
  266 11.9 119
//
