ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005060
RECORD_TITLE: 3-ACETYL-9-ISOPROPYLCARBAZOLE; 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$NAME: 3-ACETYL-9-ISOPROPYLCARBAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H17NO
CH$EXACT_MASS: 251.13101
CH$SMILES: CC(=O)c(c3)cc(c21)c(c3)n(C(C)C)c(cccc2)1
CH$IUPAC: InChI=1S/C17H17NO/c1-11(2)18-16-7-5-4-6-14(16)15-10-13(12(3)19)8-9-17(15)18/h4-11H,1-3H3
CH$LINK: INCHIKEY VNPUIJZPRGOMGS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00347280
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$SPLASH: splash10-0uxr-9470000000-df478280f3f4f369a7bf
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  41 25 250
  42 1.5 15
  43 14 140
  44 0.57 6
  45 31 310
  55 15 150
  56 2.4 24
  57 2 20
  60 17 170
  61 1.4 14
  67 1.8 18
  68 0.18 2
  69 39 390
  70 2.4 24
  71 7.4 74
  73 0.81 8
  81 12 120
  82 1.7 17
  83 4.7 47
  84 0.17 2
  85 3.6 36
  95 2.2 22
  97 3.1 31
  111 0.13 1
  129 2 20
  137 1.8 18
  138 1.6 16
  139 1.15 12
  140 2.2 22
  149 1.5 15
  164 2.6 26
  165 0.54 5
  166 28 280
  167 16 160
  168 1.4 14
  180 0.22 2
  191 1.8 18
  192 2.6 26
  193 16 160
  194 5.2 52
  195 2.6 26
  208 1.4 14
  223 1.5 15
  236 9.8 98
  237 23 230
  250 2.6 26
  251 99.99 999
  252 17 170
//
