ACCESSION: MSBNK-Kazusa-KZ000053
RECORD_TITLE: L-Serine; GC-EI-TOF; MS; 3 TMS; BP:204
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01579_P000107

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 1379.4
AC$CHROMATOGRAPHY: RETENTION_TIME 620.462 sec

MS$FOCUSED_ION: BASE_PEAK 204
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0udi-0940000000-59d5e0f76fd204be8110
PK$NUM_PEAK: 127
PK$PEAK: m/z int. rel.int.
  82 4 4
  83 5 5
  84 21 21
  85 21 21
  86 66 66
  87 35 35
  88 76 76
  89 55 55
  90 8 8
  91 4 4
  92 1 1
  95 1 1
  96 2 2
  97 1 1
  98 19 19
  99 15 15
  100 974 974
  101 185 185
  102 85 85
  103 187 187
  104 22 22
  105 24 24
  106 3 3
  107 2 2
  111 1 1
  112 3 3
  113 15 15
  114 147 147
  115 113 113
  116 294 294
  117 167 167
  118 42 42
  119 42 42
  120 7 7
  121 5 5
  126 1 1
  128 12 12
  129 15 15
  130 92 92
  131 119 119
  132 153 153
  133 279 279
  134 51 51
  135 32 32
  136 4 4
  137 1 1
  138 1 1
  141 1 1
  142 11 11
  143 9 9
  144 38 38
  145 10 10
  146 30 30
  147 717 717
  148 134 134
  149 81 81
  150 10 10
  151 3 3
  156 2 2
  157 2 2
  158 24 24
  159 24 24
  160 16 16
  161 5 5
  162 8 8
  163 34 34
  164 6 6
  165 3 3
  172 28 28
  173 7 7
  174 45 45
  175 16 16
  176 6 6
  177 3 3
  178 1 1
  186 1 1
  187 1 1
  188 171 171
  189 71 71
  190 32 32
  191 12 12
  192 3 3
  193 1 1
  196 1 1
  197 1 1
  198 1 1
  199 1 1
  200 2 2
  202 3 3
  203 23 23
  204 999 999
  205 221 221
  206 96 96
  207 13 13
  208 3 3
  209 1 1
  216 34 34
  217 12 12
  218 570 570
  219 134 134
  220 65 65
  221 16 16
  222 5 5
  223 2 2
  230 1 1
  231 2 2
  232 2 2
  233 2 2
  234 1 1
  235 1 1
  246 1 1
  260 1 1
  262 4 4
  263 1 1
  264 1 1
  277 1 1
  278 113 113
  279 38 38
  280 19 19
  281 4 4
  282 1 1
  291 1 1
  292 1 1
  306 50 50
  307 14 14
  308 7 7
  309 1 1
//