ACCESSION: MSBNK-Kazusa-KZ000223
RECORD_TITLE: L-(-)-Cystine; GC-EI-TOF; MS; 4 TMS; BP:218
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, 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
//