ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004328
RECORD_TITLE: 3-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$NAME: 3-METHYLCARBAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H11N
CH$EXACT_MASS: 181.08915
CH$SMILES: CC1=CC2=C(C=C1)NC3=CC=CC=C32
CH$IUPAC: InChI=1S/C13H11N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3
CH$LINK: CAS 4630-20-0
CH$LINK: INCHIKEY PHKYYUQQYARDIU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90196805
AC$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: splash10-001i-1900000000-434071ff3147345a2eff
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  29 1.6 16
  39 2.5 25
  41 1 10
  42 0.1 1
  50 1.1 11
  51 2.3 23
  52 1.1 11
  62 0.11 1
  63 2.9 29
  64 1 10
  74 1.7 17
  75 0.28 3
  75.5 1.3 13
  76 4.1 41
  76.5 1.1 11
  77 0.83 8
  77.5 1.4 14
  87 1.1 11
  89 3.3 33
  89.5 0.35 4
  90 7.4 74
  90.5 7.9 79
  91 1.5 15
  102 0.17 2
  103 1.2 12
  113 1.1 11
  115 1 10
  126 0.21 2
  127 3.4 34
  128 2.3 23
  139 1.2 12
  140 0.16 2
  150 1.5 15
  151 4 40
  152 12 120
  153 0.4 4
  154 2.4 24
  164 1 10
  177 2.4 24
  178 0.81 8
  179 8.9 89
  180 82.1 821
  181 99.99 999
  182 1.45 15
  183 1 10
//
