ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002020
RECORD_TITLE: 2-TERT-BUTYL-1-METHYLPYRROLE; 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$NAME: 2-TERT-BUTYL-1-METHYLPYRROLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H15N
CH$EXACT_MASS: 137.12045
CH$SMILES: Cn(c1)c(cc1)C(C)(C)C
CH$IUPAC: InChI=1S/C9H15N/c1-9(2,3)8-6-5-7-10(8)4/h5-7H,1-4H3
CH$LINK: INCHIKEY LTTLCYJYOPCRFI-UHFFFAOYSA-N
AC$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: splash10-00di-3900000000-c7026810bc854bdfc4b6
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 2.5 25
  29 1.3 13
  39 5.3 53
  40 0.1 1
  41 6.2 62
  42 7.3 73
  51 2.3 23
  52 0.15 2
  53 3.3 33
  54 1 10
  55 2.8 28
  56 0.13 1
  60 1 10
  60.5 1.5 15
  61 2.3 23
  63 0.1 1
  65 2.2 22
  67 2.7 27
  77 3.3 33
  78 0.14 1
  79 2.3 23
  80 2.5 25
  81 6.4 64
  82 1.24 12
  91 1.9 19
  92 1 10
  93 1 10
  94 0.68 7
  95 1.2 12
  105 1 10
  106 5.2 52
  107 0.76 8
  108 1.4 14
  120 1.9 19
  121 3.6 36
  122 99.99 999
  123 9.6 96
  137 31.1 311
  138 3.6 36
//
