ACCESSION: MSBNK-Kazusa-KZ000228
RECORD_TITLE: L-Homoserine; GC-EI-TOF; MS; 3 TMS; BP:128
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_01564_P000105

CH$NAME: L-Homoserine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₉NO₃
CH$EXACT_MASS: 119.05824
CH$SMILES: OCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
CH$LINK: CAS 672-15-1
CH$LINK: KEGG C00263
CH$LINK: INCHIKEY UKAUYVFTDYCKQA-VKHMYHEASA-N
CH$LINK: COMPTOX DTXSID5075159

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 1464.6
AC$CHROMATOGRAPHY: RETENTION_TIME 671.262 sec

MS$FOCUSED_ION: BASE_PEAK 128
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0v00-0930000000-3346aa2189b174721b86
PK$NUM_PEAK: 130
PK$PEAK: m/z int. rel.int.
  82 7 7
  83 12 12
  84 41 41
  85 20 20
  86 42 42
  87 37 37
  88 14 14
  89 16 16
  90 3 3
  91 2 2
  92 1 1
  93 1 1
  95 1 1
  96 4 4
  97 4 4
  98 45 45
  99 13 13
  100 320 320
  101 102 102
  102 167 167
  103 887 887
  104 101 101
  105 54 54
  106 4 4
  107 1 1
  110 5 5
  111 2 2
  112 26 26
  113 11 11
  114 53 53
  115 39 39
  116 23 23
  117 48 48
  118 14 14
  119 25 25
  120 3 3
  121 2 2
  126 8 8
  127 4 4
  128 999 999
  129 168 168
  130 183 183
  131 161 161
  132 87 87
  133 179 179
  134 32 32
  135 19 19
  136 2 2
  137 1 1
  140 5 5
  141 2 2
  142 12 12
  143 5 5
  144 20 20
  145 6 6
  146 40 40
  147 416 416
  148 88 88
  149 88 88
  150 13 13
  151 5 5
  156 14 14
  157 7 7
  158 31 31
  159 11 11
  160 8 8
  161 5 5
  162 2 2
  163 6 6
  164 1 1
  165 1 1
  170 1 1
  171 1 1
  172 26 26
  173 9 9
  174 61 61
  175 19 19
  176 15 15
  177 16 16
  178 3 3
  179 1 1
  184 2 2
  185 1 1
  186 5 5
  187 2 2
  188 16 16
  189 7 7
  190 5 5
  191 9 9
  192 2 2
  193 3 3
  194 1 1
  200 4 4
  201 1 1
  202 63 63
  203 15 15
  204 11 11
  205 2 2
  206 1 1
  214 1 1
  215 1 1
  216 21 21
  217 13 13
  218 919 919
  219 205 205
  220 101 101
  221 20 20
  222 4 4
  223 1 1
  230 51 51
  231 12 12
  232 19 19
  233 4 4
  234 2 2
  245 5 5
  246 4 4
  247 4 4
  248 1 1
  290 3 3
  291 2 2
  292 55 55
  293 20 20
  294 9 9
  295 2 2
  320 20 20
  321 6 6
  322 3 3
  335 7 7
  336 2 2
  337 1 1
//