ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004319
RECORD_TITLE: 2-TERT-BUTYLINDOLE; 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$NAME: 2-TERT-BUTYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H15N
CH$EXACT_MASS: 173.12045
CH$SMILES: CC(C)(C)C1=CC2=CC=CC=C2N1
CH$IUPAC: InChI=1S/C12H15N/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11/h4-8,13H,1-3H3
CH$LINK: INCHIKEY WVPGIDWFLXGCLA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30344060
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$SPLASH: splash10-0a4i-3900000000-6b60ba03a857a2e8eda1
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  26 1.3 13
  27 3.1 31
  29 2.9 29
  30 0.47 5
  31 1.3 13
  39 3.3 33
  40 1.6 16
  41 0.55 6
  42 2.1 21
  43 5.6 56
  45 1.3 13
  51 0.12 1
  53 1.2 12
  55 3.4 34
  56 1.9 19
  57 0.23 2
  60 1.1 11
  63 1.3 13
  65 3.8 38
  67 0.14 1
  69 1.7 17
  70 1.2 12
  71 1.4 14
  71.5 0.12 1
  72.5 1.2 12
  77 2.4 24
  78 1.5 15
  79 0.45 5
  81 1.2 12
  83 1.2 12
  83.5 1.2 12
  86.5 0.15 2
  89 2.8 28
  90 2.3 23
  91 3.6 36
  98 0.12 1
  101 1.1 11
  103 1.2 12
  115 5.6 56
  117 0.92 9
  118 6 60
  128 1.9 19
  129 2 20
  130 0.69 7
  131 1.6 16
  141 1.7 17
  142 3.6 36
  143 1.17 12
  144 2.2 22
  154 1.3 13
  156 2.8 28
  157 0.64 6
  158 99.99 999
  159 12.8 128
  172 2.7 27
  173 4.35 44
  174 6.3 63
//
