MassBank Record: KZ000050



 L-Methionine; GC-EI-TOF; MS; 2 TMS; BP:128 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000050
RECORD_TITLE: L-Methionine; GC-EI-TOF; MS; 2 TMS; BP:128
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_01571_P000123

CH$NAME: L-Methionine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H11NO2S CH$EXACT_MASS: 149.05105 CH$SMILES: N[C@@H](CCSC)C(O)=O CH$IUPAC: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 CH$LINK: CAS 63-68-3 CH$LINK: KEGG C00073 CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548
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 1614.1 AC$CHROMATOGRAPHY: RETENTION_TIME 754.012 sec
MS$FOCUSED_ION: BASE_PEAK 128 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-004i-0920000000-945c85aa7c9f5eb2dfbb PK$NUM_PEAK: 128 PK$PEAK: m/z int. rel.int. 82 9 9 83 10 10 84 22 22 85 23 23 86 45 45 87 22 22 88 13 13 89 7 7 90 4 4 91 16 16 92 2 2 93 2 2 94 1 1 95 1 1 96 5 5 97 4 4 98 31 31 99 10 10 100 216 216 101 53 53 102 45 45 103 56 56 104 15 15 105 49 49 106 6 6 107 7 7 108 1 1 110 3 3 111 1 1 112 18 18 113 7 7 114 86 86 115 29 29 116 15 15 117 22 22 118 7 7 119 10 10 120 2 2 121 2 2 126 5 5 127 3 3 128 999 999 129 171 171 130 82 82 131 36 36 132 27 27 133 45 45 134 10 10 135 5 5 140 3 3 141 4 4 142 5 5 143 3 3 144 21 21 145 5 5 146 14 14 147 378 378 148 65 65 149 32 32 150 5 5 151 4 4 152 1 1 153 1 1 154 2 2 155 2 2 156 5 5 157 8 8 158 9 9 159 6 6 160 48 48 161 9 9 162 6 6 163 4 4 164 2 2 165 1 1 172 2 2 173 2 2 174 6 6 175 3 3 176 748 748 177 154 154 178 102 102 179 13 13 180 3 3 186 1 1 188 51 51 189 9 9 190 6 6 191 1 1 200 1 1 202 60 60 203 37 37 204 13 13 205 5 5 206 1 1 214 1 1 216 2 2 217 1 1 218 91 91 219 179 179 220 45 45 221 19 19 222 3 3 223 1 1 230 12 12 231 4 4 232 32 32 233 7 7 234 3 3 235 1 1 244 1 1 245 2 2 246 2 2 250 111 111 251 37 37 252 19 19 253 4 4 254 1 1 263 11 11 264 3 3 265 2 2 278 8 8 279 2 2 280 1 1 293 119 119 294 32 32 295 19 19 296 3 3 //

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