MassBank Record: PR010057



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

ACCESSION: PR010057
RECORD_TITLE: L-(-)-Cystine; 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$NAME: L-Cystine CH$NAME: L-Dicysteine CH$NAME: L-alpha-Diamino-beta-dithiolactic acid CH$NAME: L-(-)-Cystine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H12N2O4S2 CH$EXACT_MASS: 240.02385 CH$SMILES: OC(=O)C([H])(N)CSSCC([H])(N)C(O)=O CH$IUPAC: InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1 CH$LINK: CAS 56-89-3 CH$LINK: CHEBI 16283 CH$LINK: KEGG C00491 CH$LINK: NIKKAJI J9.172C CH$LINK: PUBCHEM 3774
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$CHROMATOGRAPHY: RETENTION_INDEX 2284.7 AC$CHROMATOGRAPHY: RETENTION_TIME 535.362 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C18H44N2O4S2Si4 MS$FOCUSED_ION: DERIVATIVE_MASS 528.18196 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9850000000-49b9a52a8387d6d6f272 PK$NUM_PEAK: 136 PK$PEAK: m/z int. rel.int. 60 14 14 61 13 13 62 1 1 63 1 1 64 1 1 66 5 5 67 1 1 70 26 26 71 5 5 72 27 27 73 999 999 74 109 109 75 97 97 76 13 13 77 22 22 78 2 2 79 4 4 82 1 1 83 2 2 84 6 6 85 4 4 86 14 14 87 6 6 88 2 2 89 2 2 90 3 3 91 5 5 92 1 1 93 3 3 98 6 6 99 3 3 100 227 227 101 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 25 25 115 71 71 116 34 34 117 15 15 118 4 4 119 3 3 120 9 9 121 1 1 122 1 1 128 3 3 129 10 10 130 16 16 131 29 29 132 41 41 133 25 25 134 6 6 135 2 2 142 2 2 143 1 1 144 11 11 145 5 5 146 366 366 147 187 187 148 79 79 149 20 20 150 4 4 151 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 8 8 175 1 1 176 2 2 178 21 21 179 5 5 180 4 4 188 13 13 189 3 3 190 3 3 191 1 1 200 1 1 202 3 3 203 7 7 204 3 3 205 1 1 216 26 26 217 7 7 218 358 358 219 74 74 220 46 46 221 9 9 222 4 4 223 1 1 231 1 1 232 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 35 35 265 19 19 266 70 70 267 16 16 268 9 9 269 1 1 288 7 7 289 5 5 290 2 2 291 2 2 292 1 1 296 8 8 297 24 24 298 6 6 299 4 4 322 2 2 338 3 3 339 1 1 410 2 2 411 29 29 412 10 10 413 7 7 414 1 1 //