ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002021
RECORD_TITLE: 3-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$NAME: 3-TERT-BUTYL-1-METHYLPYRROLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₅N
CH$EXACT_MASS: 137.12045
CH$SMILES: Cn(c1)cc(c1)C(C)(C)C
CH$IUPAC: InChI=1S/C9H15N/c1-9(2,3)8-5-6-10(4)7-8/h5-7H,1-4H3
CH$LINK: INCHIKEY BEYQDADGJGDVGR-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$SPLASH: splash10-00di-5900000000-32f1592b9c427839434c
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  26 1 10
  27 4 40
  29 2.4 24
  30 0.17 2
  38 1 10
  39 8.7 87
  40 1.7 17
  41 1.37 14
  42 10 100
  43 1.4 14
  50 1.3 13
  51 0.28 3
  52 2 20
  53 4.2 42
  54 1.6 16
  55 0.41 4
  56 5.2 52
  57 2.4 24
  64 1.3 13
  65 0.29 3
  66 1.4 14
  67 3.3 33
  67.5 1 10
  68 0.21 2
  77 3.8 38
  78 2 20
  79 3.5 35
  80 0.34 3
  81 6.5 65
  82 12.7 127
  83 1 10
  91 0.16 2
  92 1.6 16
  93 1.3 13
  94 7.9 79
  95 0.15 2
  104 1 10
  105 1.3 13
  106 6.1 61
  107 1.28 13
  108 2.4 24
  120 2.4 24
  121 3.8 38
  122 99.99 999
  123 10.3 103
  137 39 390
  138 4.3 43
//