MassBank Record: JP000461



 4,5-DIMETHYLTHIAZOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000461
RECORD_TITLE: 4,5-DIMETHYLTHIAZOLE; 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$NAME: 4,5-DIMETHYLTHIAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H7NS CH$EXACT_MASS: 113.02992 CH$SMILES: Cc(n1)c(C)sc1 CH$IUPAC: InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3
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$SPLASH: splash10-03k9-9400000000-1ed8f999cd57b2b2ac69 PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 26 3.8 38 27 10 100 29 2.8 28 30 0.13 1 31 2.5 25 37 1.3 13 38 2 20 39 0.83 8 40 1.9 19 41 6.1 61 42 4 40 43 0.33 3 45 23.2 232 46 2.8 28 47 1.6 16 50 0.39 4 51 5.5 55 52 3.3 33 53 8.8 88 54 0.32 3 55 2.8 28 57 2.4 24 58 8 80 59 1.25 13 60 2.3 23 68 1.6 16 69 6.2 62 70 0.22 2 71 70.9 709 72 7.1 71 73 3.7 37 80 0.16 2 84 1.3 13 85 23.4 234 86 23.8 238 87 0.25 3 88 1.3 13 98 9.3 93 99 1 10 112 1.25 13 113 99.99 999 114 7.3 73 115 4.4 44 //