ACCESSION: MSBNK-Kazusa-KZ000236
RECORD_TITLE: L-Ornithine; GC-EI-TOF; MS; 2 TMS; BP:142
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_01574_P000039

CH$NAME: L-Ornithine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₁₂N₂O₂
CH$EXACT_MASS: 132.08988
CH$SMILES: NCCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
CH$LINK: CAS 70-26-8
CH$LINK: KEGG C00077
CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N
CH$LINK: COMPTOX DTXSID00883219

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 1787.3
AC$CHROMATOGRAPHY: RETENTION_TIME 800.662 sec

MS$FOCUSED_ION: BASE_PEAK 142
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0006-1920000000-b0357b8c9888abda7d80
PK$NUM_PEAK: 176
PK$PEAK: m/z int. rel.int.
  82 3 3
  83 4 4
  84 12 12
  85 16 16
  86 211 211
  87 31 31
  88 14 14
  89 3 3
  90 13 13
  91 1 1
  92 1 1
  94 1 1
  95 1 1
  96 8 8
  97 7 7
  98 25 25
  99 26 26
  100 213 213
  101 38 38
  102 132 132
  103 31 31
  104 8 8
  105 3 3
  110 15 15
  111 4 4
  112 37 37
  113 19 19
  114 63 63
  115 43 43
  116 26 26
  117 30 30
  118 7 7
  119 7 7
  120 1 1
  124 5 5
  125 3 3
  126 36 36
  127 25 25
  128 102 102
  129 28 28
  130 76 76
  131 39 39
  132 33 33
  133 39 39
  134 8 8
  135 3 3
  136 1 1
  138 1 1
  139 2 2
  140 13 13
  141 13 13
  142 999 999
  143 148 148
  144 57 57
  145 7 7
  146 34 34
  147 109 109
  148 24 24
  149 12 12
  150 1 1
  152 9 9
  153 6 6
  154 9 9
  155 3 3
  156 5 5
  157 3 3
  158 10 10
  159 6 6
  160 15 15
  161 6 6
  162 4 4
  163 1 1
  168 3 3
  169 7 7
  170 5 5
  171 2 2
  172 45 45
  173 11 11
  174 390 390
  175 90 90
  176 57 57
  177 9 9
  178 2 2
  182 1 1
  183 1 1
  184 2 2
  185 1 1
  186 20 20
  187 20 20
  188 18 18
  189 30 30
  190 10 10
  191 15 15
  192 3 3
  193 1 1
  198 7 7
  199 4 4
  200 130 130
  201 34 34
  202 25 25
  203 14 14
  204 32 32
  205 8 8
  206 4 4
  207 1 1
  212 2 2
  213 5 5
  214 94 94
  215 30 30
  216 110 110
  217 41 41
  218 57 57
  219 13 13
  220 16 16
  221 7 7
  222 2 2
  223 1 1
  225 3 3
  226 8 8
  227 4 4
  228 3 3
  229 5 5
  230 9 9
  231 8 8
  232 10 10
  233 3 3
  234 1 1
  240 1 1
  241 16 16
  242 14 14
  243 8 8
  244 17 17
  245 4 4
  246 5 5
  247 1 1
  248 3 3
  249 1 1
  257 2 2
  258 80 80
  259 72 72
  260 21 21
  261 7 7
  262 2 2
  287 8 8
  288 5 5
  289 2 2
  290 2 2
  291 2 2
  292 1 1
  301 1 1
  302 1 1
  303 15 15
  304 5 5
  305 4 4
  306 1 1
  313 1 1
  315 16 16
  316 10 10
  317 5 5
  318 1 1
  329 1 1
  330 25 25
  331 12 12
  332 6 6
  333 1 1
  403 3 3
  404 1 1
  405 6 6
  406 2 2
  407 1 1
  419 3 3
  420 56 56
  421 24 24
  422 13 13
  423 4 4
  424 1 1
//