MassBank Record: KZ000255



 O-Acetyl-L-serine; GC-EI-TOF; MS; 2 TMS; BP:174 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000255
RECORD_TITLE: O-Acetyl-L-serine; GC-EI-TOF; MS; 2 TMS; BP:174
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_01628_P000102

CH$NAME: O-Acetyl-L-serine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H9NO4 CH$EXACT_MASS: 147.05316 CH$SMILES: CC(=O)OC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1 CH$LINK: CAS 5147-00-2 CH$LINK: KEGG C00979 CH$LINK: INCHIKEY VZXPDPZARILFQX-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID20904718
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 1484.2 AC$CHROMATOGRAPHY: RETENTION_TIME 681.943 sec
MS$FOCUSED_ION: BASE_PEAK 174 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-01c0-0900000000-7c5ef6cc55e1a01984af PK$NUM_PEAK: 102 PK$PEAK: m/z int. rel.int. 82 8 8 83 22 22 84 240 240 85 37 37 86 45 45 87 35 35 88 36 36 89 41 41 90 8 8 92 6 6 93 23 23 94 1 1 95 5 5 96 3 3 98 21 21 99 14 14 100 365 365 101 73 73 102 46 46 103 76 76 104 6 6 105 2 2 106 1 1 107 3 3 109 1 1 110 2 2 111 3 3 112 8 8 113 7 7 114 103 103 115 55 55 116 876 876 117 301 301 118 32 32 119 24 24 120 2 2 121 2 2 122 1 1 124 1 1 126 4 4 127 10 10 128 10 10 129 39 39 130 40 40 131 67 67 132 758 758 133 145 145 134 27 27 135 8 8 142 17 17 143 5 5 144 67 67 145 14 14 146 8 8 147 374 374 148 63 63 149 36 36 150 8 8 151 3 3 152 1 1 156 10 10 157 7 7 158 47 47 159 25 25 160 7 7 161 3 3 163 6 6 166 1 1 170 1 1 171 2 2 172 43 43 173 6 6 174 999 999 175 60 60 176 22 22 177 5 5 178 2 2 180 1 1 182 1 1 184 2 2 185 2 2 186 40 40 187 2 2 188 60 60 189 9 9 190 4 4 193 1 1 201 1 1 202 4 4 203 3 3 206 1 1 216 112 112 217 10 10 218 107 107 219 15 15 223 1 1 231 6 6 233 3 3 248 9 9 250 1 1 276 2 2 277 1 1 //

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