MassBank Record: PR010115



 O-Acetyl-L-serine; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010115
RECORD_TITLE: O-Acetyl-L-serine; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

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$LINK: CAS 66638-22-0
AC$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: RETENTION_INDEX 1385.4 AC$CHROMATOGRAPHY: RETENTION_TIME 338.914 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C11H25NO4Si2 MS$FOCUSED_ION: DERIVATIVE_MASS 291.13221 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-6900000000-f2863fb0291664c5ca21 PK$NUM_PEAK: 73 PK$PEAK: m/z int. rel.int. 60 48 48 61 45 45 66 4 4 70 11 11 71 7 7 72 39 39 73 999 999 74 108 108 75 281 281 76 22 22 77 26 26 83 1 1 84 110 110 85 10 10 86 21 21 87 7 7 88 17 17 89 11 11 91 1 1 98 3 3 99 1 1 100 153 153 101 26 26 102 39 39 103 25 25 104 1 1 105 1 1 114 37 37 115 20 20 116 370 370 117 97 97 118 21 21 119 6 6 128 1 1 129 5 5 130 17 17 131 25 25 132 396 396 133 78 78 134 21 21 135 2 2 142 5 5 144 41 41 145 5 5 146 4 4 147 143 143 148 24 24 149 15 15 156 2 2 157 1 1 158 21 21 159 9 9 160 2 2 163 1 1 172 14 14 173 1 1 174 632 632 175 82 82 176 30 30 186 11 11 188 22 22 189 3 3 190 1 1 203 1 1 216 57 57 217 11 11 218 84 84 219 15 15 220 4 4 231 10 10 232 2 2 248 4 4 276 2 2 //