ACCESSION: MSBNK-Osaka_Univ-OUF00179
RECORD_TITLE: D-Homoserine; GC-EI-TOF; MS; n TMS; RT:520.794 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: D-Homoserine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₉NO₃
CH$EXACT_MASS: 119.05824
CH$SMILES: OCCC(N)C(O)=O
CH$IUPAC: InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
CH$LINK: CAS 6027-21-0
CH$LINK: CHEBI 30654
CH$LINK: CHEMSPIDER 2006329
CH$LINK: PUBCHEM CID:2724170
CH$LINK: INCHIKEY UKAUYVFTDYCKQA-GSVOUGTGSA-N
CH$LINK: COMPTOX DTXSID10209022

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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1438.463
AC$CHROMATOGRAPHY: RETENTION_TIME 520.794 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-0gdi-0940000000-77e9ed4d63c40e2ca2fe
PK$NUM_PEAK: 126
PK$PEAK: m/z int. rel.int.
  85 18 18
  86 33 33
  87 28 28
  88 11 11
  89 14 14
  90 3 3
  91 3 3
  92 3 3
  93 3 3
  94 1 1
  95 1 1
  96 4 4
  97 3 3
  98 31 31
  99 11 11
  100 218 218
  101 74 74
  102 109 109
  103 671 671
  104 70 70
  105 37 37
  106 3 3
  107 1 1
  110 4 4
  111 2 2
  112 20 20
  113 8 8
  114 41 41
  115 27 27
  116 23 23
  117 44 44
  118 12 12
  119 20 20
  120 4 4
  121 2 2
  126 8 8
  127 4 4
  128 748 748
  129 116 116
  130 138 138
  131 120 120
  132 67 67
  133 134 134
  134 25 25
  135 14 14
  136 2 2
  140 4 4
  141 1 1
  142 10 10
  143 4 4
  144 16 16
  145 6 6
  146 76 76
  147 294 294
  148 57 57
  149 59 59
  150 9 9
  151 3 3
  156 12 12
  157 5 5
  158 25 25
  159 8 8
  160 6 6
  161 4 4
  162 2 2
  163 4 4
  168 1 1
  170 1 1
  171 1 1
  172 17 17
  173 8 8
  174 37 37
  175 12 12
  176 10 10
  177 12 12
  178 3 3
  179 1 1
  184 1 1
  185 1 1
  186 4 4
  187 1 1
  188 13 13
  189 6 6
  190 4 4
  191 9 9
  192 2 2
  193 3 3
  194 1 1
  200 4 4
  201 1 1
  202 59 59
  203 15 15
  204 12 12
  205 3 3
  206 1 1
  207 1 1
  214 2 2
  215 1 1
  216 22 22
  217 13 13
  218 999 999
  219 227 227
  220 94 94
  221 19 19
  222 4 4
  223 1 1
  230 51 51
  231 12 12
  232 17 17
  233 3 3
  234 1 1
  245 3 3
  246 3 3
  247 3 3
  248 2 2
  290 1 1
  292 30 30
  293 12 12
  294 5 5
  295 1 1
  320 12 12
  321 4 4
  322 1 1
  335 5 5
  336 2 2
  337 1 1
//