ACCESSION: MSBNK-RIKEN-PR010066
RECORD_TITLE: L-Ornithine; GC-EI-TOF; MS; 2 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$NAME: L-Ornithine
CH$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$LINK: CAS 3184-13-2
CH$LINK: NIKKAJI J237.154E
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$CHROMATOGRAPHY: RETENTION_INDEX 1808.8
AC$CHROMATOGRAPHY: RETENTION_TIME 444.118 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C11H28N2O2Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 276.16893
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-7910000000-5fa118444ceb45204aa3
PK$NUM_PEAK: 154
PK$PEAK: m/z int. rel.int.
  60 19 19
  61 9 9
  66 2 2
  68 1 1
  69 4 4
  70 20 20
  71 7 7
  72 23 23
  73 999 999
  74 117 117
  75 46 46
  76 4 4
  82 1 1
  83 3 3
  84 4 4
  85 8 8
  86 112 112
  87 13 13
  88 4 4
  90 5 5
  91 1 1
  95 1 1
  96 2 2
  97 4 4
  98 12 12
  99 9 9
  100 99 99
  101 18 18
  102 60 60
  103 15 15
  104 5 5
  105 1 1
  110 7 7
  111 3 3
  112 17 17
  113 8 8
  114 28 28
  115 18 18
  116 14 14
  117 20 20
  118 4 4
  119 3 3
  120 1 1
  125 2 2
  126 17 17
  127 14 14
  128 48 48
  129 12 12
  130 40 40
  131 24 24
  132 23 23
  133 24 24
  134 3 3
  135 2 2
  139 1 1
  140 7 7
  141 7 7
  142 566 566
  143 93 93
  144 39 39
  145 3 3
  146 25 25
  147 56 56
  148 12 12
  149 7 7
  150 1 1
  152 3 3
  153 3 3
  154 4 4
  155 1 1
  156 1 1
  157 1 1
  158 4 4
  159 2 2
  160 7 7
  161 3 3
  162 2 2
  163 1 1
  168 2 2
  169 4 4
  170 4 4
  171 3 3
  172 28 28
  173 7 7
  174 257 257
  175 50 50
  176 33 33
  177 5 5
  178 1 1
  184 1 1
  186 10 10
  187 9 9
  188 6 6
  189 14 14
  190 4 4
  191 8 8
  192 1 1
  193 1 1
  198 3 3
  199 1 1
  200 46 46
  201 12 12
  202 13 13
  203 5 5
  204 13 13
  205 2 2
  212 1 1
  213 1 1
  214 32 32
  215 11 11
  216 34 34
  217 14 14
  218 18 18
  219 3 3
  220 4 4
  221 1 1
  222 1 1
  225 1 1
  228 1 1
  229 1 1
  230 2 2
  231 3 3
  232 3 3
  233 1 1
  241 5 5
  242 5 5
  243 2 2
  244 4 4
  245 1 1
  246 2 2
  248 1 1
  258 26 26
  259 25 25
  260 8 8
  261 2 2
  287 3 3
  288 1 1
  301 1 1
  303 7 7
  304 2 2
  305 1 1
  315 2 2
  316 3 3
  317 1 1
  330 9 9
  331 2 2
  332 2 2
  405 2 2
  406 2 2
  419 2 2
  420 21 21
  421 8 8
  422 5 5
  423 1 1
//