MassBank Record: KZ000153



 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: KZ000153
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_04852_P000071

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$CHROMATOGRAPHY: RETENTION_TIME 1969.32 sec
MS$FOCUSED_ION: BASE_PEAK 218 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00kb-0970000000-10a155c40ea499023052 PK$NUM_PEAK: 147 PK$PEAK: m/z int. rel.int. 82 1 1 83 2 2 84 11 11 85 6 6 86 19 19 87 10 10 88 3 3 89 3 3 90 3 3 91 3 3 92 1 1 93 1 1 96 1 1 98 9 9 99 4 4 100 372 372 101 58 58 102 32 32 103 26 26 104 4 4 105 8 8 106 2 2 107 1 1 112 2 2 113 3 3 114 44 44 115 112 112 116 57 57 117 27 27 118 9 9 119 6 6 120 17 17 121 2 2 122 2 2 128 4 4 129 17 17 130 25 25 131 50 50 132 61 61 133 42 42 134 11 11 135 4 4 136 1 1 141 1 1 142 4 4 143 2 2 144 26 26 145 12 12 146 835 835 147 500 500 148 200 200 149 52 52 150 12 12 151 2 2 152 1 1 158 6 6 159 8 8 160 10 10 161 5 5 162 2 2 163 10 10 164 2 2 165 1 1 172 19 19 173 4 4 174 16 16 175 4 4 176 5 5 177 1 1 178 47 47 179 11 11 180 9 9 181 2 2 182 1 1 184 1 1 188 25 25 189 9 9 190 6 6 191 2 2 192 1 1 194 1 1 198 1 1 200 1 1 202 4 4 203 11 11 204 5 5 205 3 3 206 1 1 207 1 1 216 67 67 217 23 23 218 999 999 219 207 207 220 126 126 221 27 27 222 12 12 223 3 3 224 1 1 231 4 4 232 69 69 233 18 18 234 8 8 235 1 1 246 1 1 248 7 7 249 15 15 250 10 10 251 3 3 252 3 3 254 1 1 260 17 17 261 6 6 262 7 7 263 4 4 264 114 114 265 64 64 266 206 206 267 48 48 268 27 27 269 4 4 270 1 1 288 20 20 289 14 14 290 5 5 291 7 7 292 4 4 293 1 1 294 2 2 295 1 1 296 17 17 297 35 35 298 10 10 299 6 6 300 1 1 321 1 1 322 4 4 323 2 2 324 1 1 338 6 6 339 2 2 340 2 2 410 7 7 411 66 66 412 25 25 413 16 16 414 4 4 415 1 1 //

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