MassBank Record: JP001626



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

ACCESSION: JP001626
RECORD_TITLE: N-METHYLPYRROLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: N-METHYLPYRROLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H7N CH$EXACT_MASS: 81.05785 CH$SMILES: Cn(c1)ccc1 CH$IUPAC: InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3 CH$LINK: CAS 96-54-8
AC$INSTRUMENT: VARIAN MAT-44 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001l-9000000000-66817af0d2cc99d62d59 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 32 6.83 68 37 5.6 56 38 10.25 103 39 44.18 442 40 16.27 163 41 18.05 181 42 54.71 547 43 2.73 27 49 1.64 16 50 4.78 48 51 5.6 56 52 11.21 112 53 56.36 564 54 22.29 223 55 29.82 298 56 2.87 29 57 3.41 34 58 2.87 29 59 1.23 12 66 3.55 36 67 2.46 25 68 3.83 38 69 4.92 49 70 1.36 14 71 1.36 14 78 13.95 140 79 4.51 45 80 74.69 747 81 99.99 999 82 6.01 60 //