ACCESSION: MSBNK-Osaka_Univ-OUF00319
RECORD_TITLE: L-Ornithine; GC-EI-TOF; MS; n TMS; RT:693.694 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: L-(+)-Ornithine
CH$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$LINK: CHEBI 15729
CH$LINK: CHEMSPIDER 6026
CH$LINK: KEGG C00077
CH$LINK: PUBCHEM CID:6262
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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1806.388
AC$CHROMATOGRAPHY: RETENTION_TIME 693.694 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-0006-0910000000-8aaa0faabf1429b90611
PK$NUM_PEAK: 152
PK$PEAK: m/z int. rel.int.
  85 13 13
  86 166 166
  87 22 22
  88 10 10
  89 4 4
  90 8 8
  91 1 1
  92 1 1
  93 1 1
  94 1 1
  95 2 2
  96 6 6
  97 6 6
  98 17 17
  99 16 16
  100 139 139
  101 25 25
  102 69 69
  103 24 24
  104 5 5
  105 3 3
  110 11 11
  111 2 2
  112 26 26
  113 13 13
  114 39 39
  115 29 29
  116 20 20
  117 25 25
  118 7 7
  119 6 6
  120 1 1
  124 4 4
  125 2 2
  126 24 24
  127 18 18
  128 64 64
  129 20 20
  130 71 71
  131 37 37
  132 35 35
  133 38 38
  134 8 8
  135 3 3
  136 1 1
  138 1 1
  139 2 2
  140 14 14
  141 14 14
  142 999 999
  143 141 141
  144 59 59
  145 9 9
  146 52 52
  147 136 136
  148 27 27
  149 13 13
  150 2 2
  151 1 1
  152 8 8
  153 5 5
  154 8 8
  155 3 3
  156 5 5
  157 2 2
  158 8 8
  159 6 6
  160 13 13
  161 6 6
  162 4 4
  163 1 1
  167 1 1
  168 4 4
  169 11 11
  170 8 8
  171 4 4
  172 44 44
  173 10 10
  174 327 327
  175 63 63
  176 36 36
  177 5 5
  178 1 1
  182 1 1
  184 1 1
  185 1 1
  186 18 18
  187 14 14
  188 11 11
  189 17 17
  190 6 6
  191 8 8
  192 2 2
  198 3 3
  199 2 2
  200 67 67
  201 16 16
  202 12 12
  203 8 8
  204 16 16
  205 4 4
  206 2 2
  212 1 1
  213 2 2
  214 35 35
  215 12 12
  216 40 40
  217 15 15
  218 20 20
  219 5 5
  220 6 6
  221 3 3
  225 1 1
  226 2 2
  227 1 1
  228 1 1
  229 2 2
  230 3 3
  231 3 3
  232 4 4
  233 1 1
  241 6 6
  242 5 5
  243 3 3
  244 7 7
  245 1 1
  246 2 2
  258 23 23
  259 23 23
  260 7 7
  261 2 2
  262 1 1
  287 2 2
  288 1 1
  289 1 1
  303 5 5
  304 1 1
  305 1 1
  315 5 5
  316 3 3
  317 1 1
  330 7 7
  331 4 4
  332 2 2
  403 1 1
  405 2 2
  406 1 1
  419 1 1
  420 15 15
  421 9 9
  422 5 5
  423 1 1
//