MassBank Record: KZ000236



 L-Ornithine; GC-EI-TOF; MS; 2 TMS; BP:142 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000236
RECORD_TITLE: L-Ornithine; GC-EI-TOF; MS; 2 TMS; BP:142
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, 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 //

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