MassBank Record: KZ000152



 L-Cysteine; GC-EI-TOF; MS; 4 TMS; BP:218 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000152
RECORD_TITLE: L-Cysteine; GC-EI-TOF; MS; 4 TMS; BP:218
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_05050_P000056

CH$NAME: L-Cysteine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C3H7NO2S CH$EXACT_MASS: 121.01975 CH$SMILES: N[C@@H](CS)C(O)=O CH$IUPAC: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 CH$LINK: CAS 52-90-4 CH$LINK: KEGG C00097 CH$LINK: INCHIKEY XUJNEKJLAYXESH-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID8022876
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 1059.76 sec
MS$FOCUSED_ION: BASE_PEAK 218 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00kb-0940000000-aefe34765fb447090a23 PK$NUM_PEAK: 188 PK$PEAK: m/z int. rel.int. 82 5 5 83 8 8 84 29 29 85 24 24 86 48 48 87 23 23 88 8 8 89 11 11 90 12 12 91 25 25 92 6 6 93 10 10 94 1 1 95 3 3 96 3 3 97 2 2 98 24 24 99 13 13 100 731 731 101 116 116 102 59 59 103 50 50 104 9 9 105 16 16 106 6 6 107 4 4 108 2 2 109 1 1 110 2 2 111 1 1 112 5 5 113 7 7 114 80 80 115 227 227 116 119 119 117 49 49 118 17 17 119 11 11 120 28 28 121 4 4 122 3 3 123 1 1 126 1 1 127 1 1 128 12 12 129 46 46 130 52 52 131 92 92 132 142 142 133 80 80 134 21 21 135 9 9 136 2 2 137 1 1 138 1 1 139 1 1 140 1 1 141 1 1 142 7 7 143 5 5 144 37 37 145 16 16 146 959 959 147 588 588 148 306 306 149 74 74 150 21 21 151 5 5 152 2 2 153 1 1 156 1 1 157 1 1 158 10 10 159 14 14 160 18 18 161 9 9 162 4 4 163 16 16 164 4 4 165 3 3 166 1 1 167 1 1 170 1 1 171 1 1 172 28 28 173 6 6 174 27 27 175 6 6 176 7 7 177 2 2 178 66 66 179 16 16 180 14 14 181 3 3 182 2 2 183 1 1 184 2 2 185 1 1 186 1 1 187 1 1 188 40 40 189 12 12 190 10 10 191 4 4 192 2 2 193 1 1 194 2 2 195 1 1 198 1 1 200 3 3 201 1 1 202 10 10 203 21 21 204 11 11 205 5 5 206 3 3 207 2 2 208 1 1 214 1 1 215 1 1 216 71 71 217 24 24 218 999 999 219 216 216 220 137 137 221 29 29 222 15 15 223 4 4 224 1 1 230 1 1 231 6 6 232 110 110 233 24 24 234 11 11 235 2 2 236 1 1 246 2 2 247 1 1 248 10 10 249 20 20 250 14 14 251 5 5 252 3 3 253 1 1 254 1 1 259 1 1 260 15 15 261 7 7 262 6 6 263 6 6 264 95 95 265 52 52 266 180 180 267 42 42 268 24 24 269 4 4 270 1 1 276 1 1 277 1 1 287 1 1 288 20 20 289 14 14 290 5 5 291 7 7 292 4 4 293 2 2 294 2 2 295 3 3 296 27 27 297 48 48 298 14 14 299 8 8 300 2 2 321 2 2 322 6 6 323 2 2 324 1 1 337 1 1 338 9 9 339 3 3 340 2 2 341 1 1 410 24 24 411 67 67 412 27 27 413 17 17 414 5 5 415 1 1 //

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