MassBank Record: PR010066



 L-Ornithine; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
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ACCESSION: 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
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 //