MassBank Record: KZ000161



 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: KZ000161
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_05068_P000024

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 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 623.644 sec
MS$FOCUSED_ION: BASE_PEAK 204 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0udi-0980000000-ab49fc3ee88db87d1a16 PK$NUM_PEAK: 106 PK$PEAK: m/z int. rel.int. 82 2 2 83 3 3 84 16 16 85 11 11 86 32 32 87 17 17 88 31 31 89 25 25 90 3 3 91 2 2 93 1 1 95 1 1 96 1 1 98 9 9 99 8 8 100 542 542 101 84 84 102 37 37 103 66 66 104 7 7 105 9 9 106 1 1 112 1 1 113 7 7 114 75 75 115 50 50 116 142 142 117 71 71 118 16 16 119 17 17 120 3 3 121 2 2 126 1 1 128 5 5 129 8 8 130 37 37 131 51 51 132 63 63 133 110 110 134 21 21 135 12 12 136 1 1 142 6 6 143 5 5 144 19 19 145 4 4 146 15 15 147 346 346 148 58 58 149 34 34 150 4 4 151 1 1 156 1 1 157 1 1 158 10 10 159 9 9 160 6 6 161 2 2 162 3 3 163 15 15 164 3 3 165 1 1 172 12 12 173 3 3 174 18 18 175 6 6 176 2 2 177 1 1 187 1 1 188 105 105 189 42 42 190 18 18 191 7 7 192 1 1 197 1 1 198 1 1 199 1 1 200 2 2 202 4 4 203 20 20 204 999 999 205 183 183 206 77 77 207 10 10 208 2 2 216 31 31 217 9 9 218 447 447 219 83 83 220 36 36 221 10 10 222 2 2 223 1 1 231 1 1 232 1 1 233 1 1 262 2 2 277 1 1 278 56 56 279 18 18 280 8 8 281 2 2 305 1 1 306 22 22 307 6 6 308 3 3 //

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