MassBank Record: JP002021



 3-TERT-BUTYL-1-METHYLPYRROLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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$SPLASH: splash10-00di-5900000000-3fb771700c0fe788e250 PK$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 33 675 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 //