MassBank Record: KZ000254



 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: KZ000254
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_P000101

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 1483.8 AC$CHROMATOGRAPHY: RETENTION_TIME 681.743 sec
MS$FOCUSED_ION: BASE_PEAK 174 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-01c0-0900000000-cbac2ae436dcca0d0251 PK$NUM_PEAK: 105 PK$PEAK: m/z int. rel.int. 82 4 4 83 8 8 84 197 197 85 27 27 86 49 49 87 16 16 88 47 47 89 27 27 90 5 5 91 7 7 92 1 1 96 1 1 97 2 2 98 12 12 99 13 13 100 311 311 101 57 57 102 67 67 103 53 53 104 8 8 105 10 10 106 1 1 110 1 1 111 2 2 112 2 2 113 4 4 114 69 69 115 43 43 116 701 701 117 199 199 118 52 52 119 15 15 120 2 2 121 1 1 123 1 1 124 1 1 125 1 1 126 1 1 128 6 6 129 10 10 130 41 41 131 56 56 132 703 703 133 171 171 134 48 48 135 11 11 136 2 2 140 2 2 141 1 1 142 12 12 143 5 5 144 89 89 145 12 12 146 15 15 147 309 309 148 50 50 149 36 36 150 3 3 151 2 2 156 11 11 157 7 7 158 45 45 159 15 15 160 8 8 161 2 2 162 1 1 163 6 6 164 2 2 165 1 1 172 28 28 173 8 8 174 999 999 175 166 166 176 55 55 177 4 4 184 2 2 186 18 18 187 3 3 188 46 46 189 11 11 190 8 8 191 3 3 192 1 1 200 3 3 202 1 1 203 9 9 204 2 2 205 1 1 206 3 3 207 1 1 216 113 113 217 27 27 218 173 173 219 35 35 220 17 17 221 2 2 231 14 14 232 9 9 233 1 1 234 5 5 235 1 1 248 11 11 249 4 4 276 6 6 277 1 1 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)