MassBank Record: KZ000239



 L-(-)-Threonine; GC-EI-TOF; MS; 3 TMS; BP:117 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000239
RECORD_TITLE: L-(-)-Threonine; GC-EI-TOF; MS; 3 TMS; BP:117
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_01581_P000098

CH$NAME: L-Threonine CH$NAME: L-(-)-Threonine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C4H9NO3 CH$EXACT_MASS: 119.05824 CH$SMILES: [H]C(C)(O)C([H])(N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1 CH$LINK: CAS 72-19-5 CH$LINK: KEGG C00188 CH$LINK: INCHIKEY AYFVYJQAPQTCCC-GBXIJSLDSA-N CH$LINK: COMPTOX DTXSID2046412
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 1392.4 AC$CHROMATOGRAPHY: RETENTION_TIME 629.063 sec
MS$FOCUSED_ION: BASE_PEAK 117 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0gb9-0930000000-045341234639d940688b PK$NUM_PEAK: 136 PK$PEAK: m/z int. rel.int. 82 5 5 83 5 5 84 51 51 85 33 33 86 105 105 87 94 94 88 21 21 89 13 13 90 3 3 91 2 2 92 1 1 95 2 2 96 5 5 97 5 5 98 27 27 99 20 20 100 462 462 101 753 753 102 157 157 103 99 99 104 13 13 105 18 18 106 2 2 107 2 2 110 3 3 111 2 2 112 23 23 113 12 12 114 112 112 115 99 99 116 37 37 117 999 999 118 134 134 119 74 74 120 9 9 121 2 2 122 1 1 124 1 1 125 1 1 126 4 4 128 291 291 129 299 299 130 194 194 131 192 192 132 186 186 133 218 218 134 42 42 135 25 25 136 3 3 137 1 1 140 3 3 141 1 1 142 7 7 143 7 7 144 29 29 145 10 10 146 31 31 147 521 521 148 109 109 149 74 74 150 10 10 151 4 4 152 1 1 154 1 1 155 1 1 156 9 9 157 4 4 158 29 29 159 50 50 160 46 46 161 13 13 162 6 6 163 16 16 164 3 3 165 1 1 170 1 1 171 1 1 172 19 19 173 5 5 174 27 27 175 7 7 176 10 10 177 18 18 178 3 3 179 4 4 184 1 1 185 1 1 186 18 18 187 6 6 188 13 13 189 7 7 190 7 7 191 20 20 192 4 4 193 2 2 194 1 1 200 1 1 201 1 1 202 78 78 203 90 90 204 37 37 205 12 12 206 4 4 207 2 2 214 2 2 216 7 7 217 7 7 218 570 570 219 550 550 220 165 165 221 74 74 222 14 14 223 4 4 224 1 1 230 20 20 231 8 8 232 7 7 233 2 2 234 1 1 246 1 1 248 6 6 249 2 2 250 1 1 276 3 3 277 1 1 278 1 1 290 2 2 291 160 160 292 115 115 293 48 48 294 16 16 295 3 3 319 1 1 320 22 22 321 6 6 322 3 3 //

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