MassBank Record: PR010116



 N-Acetyl-DL-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: PR010116
RECORD_TITLE: N-Acetyl-DL-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$NAME: N-Acetyl-DL-serine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H9NO4 CH$EXACT_MASS: 147.05316 CH$SMILES: OCC(NC(C)=O)C(O)=O CH$IUPAC: InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10) CH$LINK: CAS 97-14-3
AC$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 1497 AC$CHROMATOGRAPHY: RETENTION_TIME 369.241 sec
MS$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$SPLASH: splash10-00di-8900000000-ab0e87e5d8b36aa37e5a PK$NUM_PEAK: 113 PK$PEAK: m/z int. rel.int. 60 17 17 61 46 46 62 4 4 63 3 3 65 1 1 66 5 5 67 2 2 68 4 4 69 2 2 70 10 10 71 8 8 72 30 30 73 999 999 74 101 101 75 285 285 76 30 30 77 42 42 78 5 5 79 21 21 80 2 2 82 3 3 83 3 3 84 90 90 85 15 15 86 15 15 87 15 15 88 22 22 89 15 15 90 3 3 91 3 3 92 1 1 93 2 2 94 1 1 95 1 1 98 6 6 99 35 35 100 104 104 101 68 68 102 24 24 103 220 220 104 21 21 105 11 11 111 5 5 112 21 21 113 3 3 114 13 13 115 15 15 116 293 293 117 54 54 118 19 19 119 7 7 120 1 1 127 1 1 128 6 6 129 12 12 130 22 22 131 23 23 132 131 131 133 52 52 134 11 11 135 5 5 140 2 2 141 1 1 142 18 18 143 31 31 144 102 102 145 20 20 146 18 18 147 99 99 148 16 16 149 15 15 150 2 2 151 1 1 156 26 26 157 11 11 158 73 73 159 15 15 160 6 6 161 1 1 163 1 1 171 68 68 172 11 11 173 7 7 174 95 95 175 14 14 176 5 5 177 2 2 184 14 14 185 2 2 186 136 136 187 18 18 188 7 7 189 2 2 190 1 1 201 26 26 202 4 4 203 1 1 204 3 3 217 20 20 218 7 7 219 3 3 231 1 1 232 1 1 248 5 5 249 1 1 258 3 3 261 79 79 262 17 17 263 7 7 264 1 1 276 16 16 277 3 3 278 1 1 //