MassBank Record: JP003103



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

ACCESSION: JP003103
RECORD_TITLE: CHLORMEZANONE TRANCOPAL; 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$NAME: CHLORMEZANONE TRANCOPAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H12ClNO3S CH$EXACT_MASS: 273.02264 CH$SMILES: Clc(c2)ccc(c2)C(N(C)1)[S+2]([O-1])([O-1])CCC(=O)1 CH$IUPAC: InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3/q+2
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0udi-7900000000-733639f4c3eb4295ed67 PK$NUM_PEAK: 127 PK$PEAK: m/z int. rel.int. 25 0.9 9 26 4 40 27 8.1 81 28 3.07 31 29 1.3 13 30 1 10 32 3.8 38 34 0.05 1 35 0.3 3 36 2.6 26 37 0.5 5 38 0.12 1 39 4.4 44 40 1.1 11 41 6.5 65 42 6.18 62 43 2.3 23 44 4.1 41 45 1 10 46 0.08 1 47 1.8 18 48 4 40 49 0.8 8 50 0.61 6 51 5.4 54 52 0.9 9 53 0.2 2 54 0.03 0 55 7.4 74 56 20.1 201 57 3.2 32 58 0.24 2 59 1.3 13 60 0.3 3 61 1.4 14 62 0.26 3 63 6.9 69 64 2.9 29 65 1.2 12 66 0.03 0 67 0.2 2 68 1.4 14 69 24 240 70 0.22 2 71 1 10 72 1.1 11 73 2.3 23 74 0.03 0 75 12.2 122 76 4.5 45 77 7 70 78 0.09 1 79 0.1 1 82 0.1 1 83 0.2 2 84 0.08 1 85 1.6 16 86 1.4 14 87 1.4 14 88 0.01 0 89 11.5 115 90 3.4 34 91 5.2 52 92 0.03 0 97 15 150 98 58 580 99 4.5 45 100 0.08 1 101 1.1 11 102 5.1 51 103 1.5 15 104 0.01 0 105 0.2 2 110 0.4 4 111 20 200 112 0.69 7 113 6 60 114 2.2 22 115 1.3 13 116 0.03 0 117 15.3 153 118 9.5 95 119 1.5 15 120 0.04 0 121 0.1 1 123 1.3 13 124 1.1 11 125 1.74 17 126 2 20 127 6.1 61 128 0.9 9 137 0.63 6 138 2.9 29 139 3.1 31 140 1.5 15 141 0.01 0 142 0.3 3 143 0.1 1 144 0.2 2 145 0.02 0 146 1.1 11 149 0.3 3 150 0.5 5 151 0.23 2 152 99.99 999 153 31.9 319 154 42.1 421 155 0.15 2 156 9.5 95 157 0.9 9 166 0.7 7 167 0.01 0 168 0.4 4 174 27.7 277 175 3.3 33 176 0.03 0 178 0.1 1 180 1.6 16 181 0.8 8 182 0.05 1 194 0.3 3 208 13.7 137 209 6.9 69 210 0.61 6 211 2.2 22 212 0.2 2 274 0.4 4 //