ACCESSION: MSBNK-Kazusa-KZ000161
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_05068_P000024

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 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 623.644 sec

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

PK$SPLASH: splash10-0udi-0980000000-ab49fc3ee88db87d1a16
PK$NUM_PEAK: 106
PK$PEAK: m/z int. rel.int.
  82 2 2
  83 3 3
  84 16 16
  85 11 11
  86 32 32
  87 17 17
  88 31 31
  89 25 25
  90 3 3
  91 2 2
  93 1 1
  95 1 1
  96 1 1
  98 9 9
  99 8 8
  100 542 542
  101 84 84
  102 37 37
  103 66 66
  104 7 7
  105 9 9
  106 1 1
  112 1 1
  113 7 7
  114 75 75
  115 50 50
  116 142 142
  117 71 71
  118 16 16
  119 17 17
  120 3 3
  121 2 2
  126 1 1
  128 5 5
  129 8 8
  130 37 37
  131 51 51
  132 63 63
  133 110 110
  134 21 21
  135 12 12
  136 1 1
  142 6 6
  143 5 5
  144 19 19
  145 4 4
  146 15 15
  147 346 346
  148 58 58
  149 34 34
  150 4 4
  151 1 1
  156 1 1
  157 1 1
  158 10 10
  159 9 9
  160 6 6
  161 2 2
  162 3 3
  163 15 15
  164 3 3
  165 1 1
  172 12 12
  173 3 3
  174 18 18
  175 6 6
  176 2 2
  177 1 1
  187 1 1
  188 105 105
  189 42 42
  190 18 18
  191 7 7
  192 1 1
  197 1 1
  198 1 1
  199 1 1
  200 2 2
  202 4 4
  203 20 20
  204 999 999
  205 183 183
  206 77 77
  207 10 10
  208 2 2
  216 31 31
  217 9 9
  218 447 447
  219 83 83
  220 36 36
  221 10 10
  222 2 2
  223 1 1
  231 1 1
  232 1 1
  233 1 1
  262 2 2
  277 1 1
  278 56 56
  279 18 18
  280 8 8
  281 2 2
  305 1 1
  306 22 22
  307 6 6
  308 3 3
//