MassBank Record: KZ000043



 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: KZ000043
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_01556_P000271

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 2373.0 AC$CHROMATOGRAPHY: RETENTION_TIME 1061.83 sec
MS$FOCUSED_ION: BASE_PEAK 218 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00kb-0950000000-df7e91c95b610ff21c79 PK$NUM_PEAK: 163 PK$PEAK: m/z int. rel.int. 82 4 4 83 6 6 84 26 26 85 21 21 86 35 35 87 16 16 88 6 6 89 8 8 90 8 8 91 19 19 92 4 4 93 6 6 94 1 1 95 2 2 96 2 2 97 1 1 98 17 17 99 11 11 100 520 520 101 81 81 102 40 40 103 37 37 104 6 6 105 11 11 106 5 5 107 3 3 108 1 1 110 1 1 111 1 1 112 3 3 113 5 5 114 54 54 115 156 156 116 80 80 117 34 34 118 11 11 119 8 8 120 18 18 121 3 3 122 2 2 126 1 1 128 8 8 129 42 42 130 36 36 131 59 59 132 86 86 133 50 50 134 12 12 135 5 5 136 1 1 137 1 1 141 1 1 142 5 5 143 4 4 144 32 32 145 13 13 146 919 919 147 512 512 148 207 207 149 53 53 150 12 12 151 3 3 152 1 1 156 1 1 157 1 1 158 8 8 159 11 11 160 12 12 161 7 7 162 3 3 163 10 10 164 2 2 165 2 2 170 1 1 172 19 19 173 5 5 174 21 21 175 5 5 176 5 5 177 1 1 178 52 52 179 12 12 180 10 10 181 2 2 182 1 1 184 1 1 188 26 26 189 9 9 190 8 8 191 3 3 192 1 1 193 1 1 194 1 1 198 1 1 200 2 2 201 1 1 202 7 7 203 14 14 204 7 7 205 3 3 206 2 2 207 1 1 216 61 61 217 19 19 218 999 999 219 206 206 220 130 130 221 27 27 222 12 12 223 3 3 224 1 1 230 1 1 231 4 4 232 106 106 233 23 23 234 10 10 235 2 2 236 1 1 246 2 2 247 1 1 248 8 8 249 13 13 250 11 11 251 3 3 252 3 3 254 1 1 260 10 10 261 6 6 262 6 6 263 4 4 264 107 107 265 54 54 266 171 171 267 40 40 268 23 23 269 4 4 270 1 1 288 15 15 289 13 13 290 5 5 291 7 7 292 4 4 293 1 1 294 2 2 295 1 1 296 21 21 297 49 49 298 14 14 299 8 8 300 1 1 321 1 1 322 5 5 323 2 2 324 1 1 338 8 8 339 3 3 340 2 2 410 7 7 411 74 74 412 28 28 413 18 18 414 5 5 415 1 1 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)