MassBank Record: PR010015



 L-Cysteine; GC-EI-TOF; MS; 4 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010015
RECORD_TITLE: L-Cysteine; GC-EI-TOF; MS; 4 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: L-Cysteine CH$NAME: L-2-Amino-3-mercaptopropionic acid 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$LINK: CHEBI 17561 CH$LINK: CHEMPDB FCY CH$LINK: KEGG C00097 CH$LINK: NIKKAJI J9.167G CH$LINK: PUBCHEM 3397
AC$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: RETENTION_INDEX 2283.7 AC$CHROMATOGRAPHY: RETENTION_TIME 535.313 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C15H39NO2SSi4 MS$FOCUSED_ION: DERIVATIVE_MASS 409.17786 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9850000000-118c43e33861a6baa8d2 PK$NUM_PEAK: 139 PK$PEAK: m/z int. rel.int. 60 13 13 61 12 12 62 1 1 63 1 1 64 1 1 66 6 6 67 1 1 70 26 26 71 5 5 72 26 26 73 999 999 74 110 110 75 101 101 76 15 15 77 25 25 78 2 2 79 4 4 82 1 1 83 2 2 84 6 6 85 5 5 86 14 14 87 7 7 88 2 2 89 3 3 90 3 3 91 6 6 92 1 1 93 2 2 95 1 1 98 6 6 99 3 3 100 221 221 101 35 35 102 17 17 103 14 14 104 2 2 105 4 4 106 1 1 107 1 1 112 1 1 113 2 2 114 26 26 115 68 68 116 33 33 117 15 15 118 4 4 119 3 3 120 10 10 121 1 1 122 1 1 128 3 3 129 11 11 130 16 16 131 30 30 132 42 42 133 25 25 134 6 6 135 2 2 142 2 2 143 1 1 144 11 11 145 5 5 146 359 359 147 190 190 148 87 87 149 21 21 150 5 5 151 1 1 158 3 3 159 4 4 160 4 4 161 2 2 162 1 1 163 4 4 164 1 1 172 8 8 173 2 2 174 9 9 175 2 2 176 2 2 178 19 19 179 4 4 180 4 4 181 1 1 188 14 14 189 4 4 190 3 3 191 1 1 200 1 1 202 4 4 203 7 7 204 3 3 205 1 1 206 1 1 216 27 27 217 8 8 218 359 359 219 74 74 220 47 47 221 9 9 222 4 4 223 1 1 231 2 2 232 42 42 233 9 9 234 4 4 248 3 3 249 5 5 250 4 4 251 1 1 252 1 1 260 4 4 261 2 2 262 2 2 263 1 1 264 34 34 265 19 19 266 69 69 267 15 15 268 8 8 269 1 1 288 7 7 289 5 5 290 2 2 291 2 2 292 1 1 296 8 8 297 23 23 298 6 6 299 4 4 322 2 2 338 3 3 339 1 1 410 2 2 411 26 26 412 9 9 413 6 6 414 1 1 //