MassBank Record: KZ000053



 L-Serine; GC-EI-TOF; MS; 3 TMS; BP:204 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000053
RECORD_TITLE: L-Serine; GC-EI-TOF; MS; 3 TMS; BP:204
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_01579_P000107

CH$NAME: L-Serine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C3H7NO3 CH$EXACT_MASS: 105.04259 CH$SMILES: OC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1 CH$LINK: CAS 56-45-1 CH$LINK: KEGG C00065 CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230
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 1379.4 AC$CHROMATOGRAPHY: RETENTION_TIME 620.462 sec
MS$FOCUSED_ION: BASE_PEAK 204 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0udi-0940000000-59d5e0f76fd204be8110 PK$NUM_PEAK: 127 PK$PEAK: m/z int. rel.int. 82 4 4 83 5 5 84 21 21 85 21 21 86 66 66 87 35 35 88 76 76 89 55 55 90 8 8 91 4 4 92 1 1 95 1 1 96 2 2 97 1 1 98 19 19 99 15 15 100 974 974 101 185 185 102 85 85 103 187 187 104 22 22 105 24 24 106 3 3 107 2 2 111 1 1 112 3 3 113 15 15 114 147 147 115 113 113 116 294 294 117 167 167 118 42 42 119 42 42 120 7 7 121 5 5 126 1 1 128 12 12 129 15 15 130 92 92 131 119 119 132 153 153 133 279 279 134 51 51 135 32 32 136 4 4 137 1 1 138 1 1 141 1 1 142 11 11 143 9 9 144 38 38 145 10 10 146 30 30 147 717 717 148 134 134 149 81 81 150 10 10 151 3 3 156 2 2 157 2 2 158 24 24 159 24 24 160 16 16 161 5 5 162 8 8 163 34 34 164 6 6 165 3 3 172 28 28 173 7 7 174 45 45 175 16 16 176 6 6 177 3 3 178 1 1 186 1 1 187 1 1 188 171 171 189 71 71 190 32 32 191 12 12 192 3 3 193 1 1 196 1 1 197 1 1 198 1 1 199 1 1 200 2 2 202 3 3 203 23 23 204 999 999 205 221 221 206 96 96 207 13 13 208 3 3 209 1 1 216 34 34 217 12 12 218 570 570 219 134 134 220 65 65 221 16 16 222 5 5 223 2 2 230 1 1 231 2 2 232 2 2 233 2 2 234 1 1 235 1 1 246 1 1 260 1 1 262 4 4 263 1 1 264 1 1 277 1 1 278 113 113 279 38 38 280 19 19 281 4 4 282 1 1 291 1 1 292 1 1 306 50 50 307 14 14 308 7 7 309 1 1 //

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