MassBank Record: KZ000223



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

ACCESSION: KZ000223
RECORD_TITLE: L-(-)-Cystine; 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_01557_P000168

CH$NAME: L-Cystine CH$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$LINK: KEGG C00491 CH$LINK: INCHIKEY LEVWYRKDKASIDU-IMJSIDKUSA-N CH$LINK: COMPTOX DTXSID2046418
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 2371.4 AC$CHROMATOGRAPHY: RETENTION_TIME 1061.26 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-a803bc05843192dd737d PK$NUM_PEAK: 165 PK$PEAK: m/z int. rel.int. 82 5 5 83 7 7 84 26 26 85 26 26 86 42 42 87 19 19 88 7 7 89 10 10 90 9 9 91 21 21 92 5 5 93 5 5 94 1 1 95 1 1 96 2 2 97 1 1 98 19 19 99 12 12 100 567 567 101 90 90 102 44 44 103 42 42 104 7 7 105 13 13 106 5 5 107 3 3 108 1 1 110 1 1 111 1 1 112 3 3 113 6 6 114 59 59 115 185 185 116 90 90 117 39 39 118 13 13 119 9 9 120 22 22 121 3 3 122 2 2 123 1 1 126 1 1 128 9 9 129 53 53 130 43 43 131 70 70 132 103 103 133 60 60 134 15 15 135 6 6 136 1 1 137 1 1 141 1 1 142 5 5 143 4 4 144 32 32 145 13 13 146 907 907 147 503 503 148 212 212 149 54 54 150 13 13 151 3 3 152 1 1 156 1 1 157 1 1 158 8 8 159 11 11 160 13 13 161 7 7 162 3 3 163 11 11 164 3 3 165 2 2 170 1 1 172 19 19 173 5 5 174 23 23 175 5 5 176 5 5 177 2 2 178 59 59 179 14 14 180 11 11 181 2 2 182 1 1 184 1 1 188 28 28 189 11 11 190 8 8 191 3 3 192 2 2 193 1 1 194 2 2 198 1 1 200 2 2 201 1 1 202 8 8 203 17 17 204 8 8 205 4 4 206 2 2 207 1 1 208 1 1 216 64 64 217 20 20 218 999 999 219 213 213 220 134 134 221 27 27 222 12 12 223 3 3 224 1 1 230 1 1 231 4 4 232 108 108 233 24 24 234 11 11 235 2 2 236 1 1 246 2 2 247 1 1 248 8 8 249 14 14 250 12 12 251 4 4 252 3 3 254 1 1 260 11 11 261 7 7 262 6 6 263 5 5 264 101 101 265 52 52 266 171 171 267 39 39 268 22 22 269 4 4 270 1 1 288 16 16 289 13 13 290 5 5 291 7 7 292 4 4 293 1 1 294 2 2 295 1 1 296 21 21 297 48 48 298 13 13 299 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 10 10 411 69 69 412 27 27 413 17 17 414 5 5 415 1 1 //

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