MassBank Record: JP002012



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

ACCESSION: JP002012
RECORD_TITLE: 5-ETHYL-4-PROPYLTHIAZOLE; 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$NAME: 5-ETHYL-4-PROPYLTHIAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H13NS CH$EXACT_MASS: 155.07687 CH$SMILES: CCCc(n1)c(CC)sc1 CH$IUPAC: InChI=1S/C8H13NS/c1-3-5-7-8(4-2)10-6-9-7/h6H,3-5H2,1-2H3
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$SPLASH: splash10-004i-9700000000-cd792d7f669489d3f345 PK$NUM_PEAK: 93 PK$PEAK: m/z int. rel.int. 26 4.3 43 27 29.8 298 29 10.9 109 37 0.14 1 38 3.3 33 39 30.6 306 40 5.2 52 41 3.95 40 42 7.3 73 43 47.1 471 45 32.2 322 46 0.18 2 47 3.9 39 49 1.9 19 50 2.7 27 51 0.67 7 52 4 40 53 9.7 97 54 2.8 28 55 1.3 13 56 2.7 27 58 8 80 59 15.6 156 60 0.18 2 61 2 20 62 1.6 16 63 2.8 28 64 0.14 1 65 15.4 154 66 3.1 31 67 4.6 46 68 0.29 3 69 12.5 125 70 6.1 61 71 50 500 72 0.43 4 73 5.5 55 74 1.3 13 75 1.4 14 76 0.21 2 77 9.2 92 78 2.6 26 79 5.5 55 80 0.19 2 81 1.9 19 82 2.6 26 83 2.5 25 84 0.53 5 85 9 90 86 1.8 18 87 1.1 11 91 0.23 2 92 1.5 15 93 1.7 17 94 1.8 18 95 0.13 1 96 1.3 13 97 7.6 76 98 22.5 225 99 2.09 21 100 2.8 28 101 1 10 103 1.1 11 104 0.12 1 105 1.8 18 107 1.1 11 109 1 10 110 0.13 1 111 3.8 38 112 20.9 209 113 4.4 44 114 0.28 3 115 1 10 122 1.1 11 124 3.6 36 125 0.52 5 126 80 800 127 99.99 999 128 10.5 105 129 0.49 5 138 2.8 28 139 1.3 13 140 28.2 282 141 0.37 4 142 1.9 19 148 1.1 11 152 1.4 14 153 0.13 1 154 12.5 125 155 29.8 298 156 4.6 46 157 0.22 2 158 1 10 //