ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005062
RECORD_TITLE: 3,6-DIACETYL-9-ETHYLCARBAZOLE; 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$NAME: 3,6-DIACETYL-9-ETHYLCARBAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H17NO2
CH$EXACT_MASS: 279.12593
CH$SMILES: CC(=O)c(c3)cc(c(c3)1)c(c2)c(ccc(C(C)=O)2)n(CC)1
CH$IUPAC: InChI=1S/C18H17NO2/c1-4-19-17-7-5-13(11(2)20)9-15(17)16-10-14(12(3)21)6-8-18(16)19/h5-10H,4H2,1-3H3
CH$LINK: INCHIKEY RIRBXBVFZCKFNX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60347488
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$SPLASH: splash10-03fr-2190000000-92f850c668779c0b51a9
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
  39 2.1 21
  41 5.1 51
  42 2.1 21
  43 0.52 5
  44 5.2 52
  45 2.1 21
  53 1.1 11
  54 0.16 2
  55 5.2 52
  56 3.1 31
  57 5.1 51
  60 0.3 3
  67 3.4 34
  68 2.6 26
  69 5.2 52
  70 0.28 3
  71 4 40
  73 3.3 33
  77 1 10
  79 0.15 2
  81 5 50
  82 2.6 26
  83 4.4 44
  84 0.28 3
  85 2.8 28
  91 1.3 13
  93 1.3 13
  94 0.1 1
  95 3.5 35
  96 2.1 21
  97 3.7 37
  98 0.37 4
  99 1.1 11
  105 1 10
  107 1.2 12
  109 0.21 2
  110 1.2 12
  111 2.4 24
  113 1.1 11
  121 0.14 1
  123 1.7 17
  124 1 10
  125 2 20
  129 0.19 2
  135 1.1 11
  136 1.1 11
  137 2.3 23
  138 0.12 1
  139 1 10
  149 2.2 22
  150 1.1 11
  151 0.21 2
  152 1.5 15
  163 1 10
  164 3.2 32
  165 0.22 2
  166 1 10
  177 1.6 16
  178 3.7 37
  179 0.21 2
  180 1.1 11
  190 1.1 11
  191 2.1 21
  192 0.29 3
  193 2.6 26
  194 1.5 15
  206 1 10
  207 0.12 1
  220 2.7 27
  221 14.7 147
  222 4.2 42
  236 0.25 3
  237 1.3 13
  239 1 10
  249 1.3 13
  250 0.25 3
  251 1.1 11
  262 1.3 13
  263 1.9 19
  264 99.99 999
  265 32.7 327
  266 1.8 18
  279 57.7 577
  280 19.6 196
//
