MassBank Record: JP000468



 2,4,5-TRIMETHYLTHIAZOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000468
RECORD_TITLE: 2,4,5-TRIMETHYLTHIAZOLE; 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$NAME: 2,4,5-TRIMETHYLTHIAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H9NS CH$EXACT_MASS: 127.04557 CH$SMILES: Cc(n1)c(C)sc(C)1 CH$IUPAC: InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3
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$SPLASH: splash10-004r-9300000000-4d825c6d47604fba88c1 PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 26 2.8 28 27 10.9 109 29 1.4 14 37 0.1 1 38 2.3 23 39 9.7 97 40 3.3 33 41 0.85 9 42 11.5 115 43 9.2 92 45 20.6 206 46 0.27 3 47 1.9 19 50 3.6 36 51 5.7 57 52 0.33 3 53 10.2 102 54 1.4 14 57 2.7 27 58 1.1 11 59 24.4 244 60 2.1 21 61 1.3 13 66 0.11 1 68 3.5 35 69 5.9 59 70 2.7 27 71 9.51 95 72 5.2 52 73 5.1 51 78 1.1 11 84 0.13 1 85 32.1 321 86 71 710 87 5.7 57 88 0.36 4 112 3.7 37 126 9.3 93 127 99.99 999 128 0.85 9 129 5.3 53 //