ACCESSION: MSBNK-RIKEN-PR010211
RECORD_TITLE: alpha-Methylserine; GC-EI-TOF; MS; 3 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$NAME: alpha-Methyl-DL-serine
CH$NAME: alpha-Methylserine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₉NO₃
CH$EXACT_MASS: 119.05824
CH$SMILES: OCC(C)(N)C(O)=O
CH$IUPAC: InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)
CH$LINK: CAS 5424-29-3
CH$LINK: NIKKAJI J220.018J
CH$LINK: INCHIKEY CDUUKBXTEOFITR-UHFFFAOYSA-N

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$CHROMATOGRAPHY: RETENTION_INDEX 1374.3
AC$CHROMATOGRAPHY: RETENTION_TIME 368.734 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C13H33NO3Si3
MS$FOCUSED_ION: DERIVATIVE_MASS 335.17682
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9530000000-2711e303af72877d69c9
PK$NUM_PEAK: 113
PK$PEAK: m/z int. rel.int.
  60 17 17
  61 17 17
  62 2 2
  63 1 1
  66 11 11
  67 2 2
  69 6 6
  70 18 18
  71 9 9
  72 30 30
  73 999 999
  74 110 110
  75 109 109
  76 12 12
  77 22 22
  78 2 2
  79 5 5
  82 2 2
  83 2 2
  84 16 16
  85 6 6
  86 6 6
  87 20 20
  88 9 9
  89 7 7
  90 1 1
  91 1 1
  92 1 1
  96 1 1
  97 2 2
  98 5 5
  99 11 11
  100 31 31
  101 7 7
  102 7 7
  103 29 29
  104 3 3
  105 4 4
  111 1 1
  112 5 5
  113 4 4
  114 228 228
  115 53 53
  116 19 19
  117 14 14
  118 3 3
  119 6 6
  120 1 1
  126 1 1
  128 83 83
  129 19 19
  130 52 52
  131 34 34
  132 23 23
  133 47 47
  134 9 9
  135 6 6
  142 2 2
  143 1 1
  144 11 11
  145 3 3
  146 13 13
  147 133 133
  148 24 24
  149 16 16
  150 2 2
  151 1 1
  155 2 2
  156 2 2
  157 1 1
  158 4 4
  159 1 1
  160 7 7
  161 2 2
  162 1 1
  163 4 4
  164 1 1
  172 3 3
  173 1 1
  174 12 12
  175 3 3
  176 2 2
  177 2 2
  186 2 2
  187 1 1
  188 6 6
  189 5 5
  190 2 2
  191 4 4
  202 22 22
  203 5 5
  204 4 4
  205 1 1
  216 1 1
  217 7 7
  218 195 195
  219 43 43
  220 18 18
  221 4 4
  222 1 1
  230 17 17
  231 6 6
  232 210 210
  233 45 45
  234 19 19
  235 3 3
  247 1 1
  292 15 15
  293 4 4
  294 2 2
  320 7 7
  321 2 2
  322 1 1
//