ACCESSION: MSBNK-RIKEN-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
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$CHROMATOGRAPHY: RETENTION_INDEX 2284.7
AC$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
//