ACCESSION: MSBNK-Osaka_Univ-OUF00405
RECORD_TITLE: O-Succinyl-L-Homoserine; GC-EI-TOF; MS; n TMS; RT:785.748 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$NAME: O-Succinyl-L-Homoserine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₈H₁₃NO₆
CH$EXACT_MASS: 219.07429
CH$SMILES: OC(=O)CCC(=O)OCCC(N)C(O)=O
CH$IUPAC: InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)/t5-/m0/s1
CH$LINK: CAS 1492-23-5
CH$LINK: CHEBI 16160
CH$LINK: CHEMSPIDER 388523
CH$LINK: KEGG C01118
CH$LINK: PUBCHEM CID:439406
CH$LINK: INCHIKEY GNISQJGXJIDKDJ-YFKPBYRVSA-N
CH$LINK: COMPTOX DTXSID60164192

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$CHROMATOGRAPHY: RETENTION_INDEX 2036.485
AC$CHROMATOGRAPHY: RETENTION_TIME 785.748 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-004i-0910000000-168f7919a848d923f161
PK$NUM_PEAK: 99
PK$PEAK: m/z int. rel.int.
  85 8 8
  86 16 16
  87 6 6
  88 2 2
  89 4 4
  92 1 1
  93 2 2
  94 1 1
  95 1 1
  96 2 2
  97 2 2
  98 9 9
  99 5 5
  100 63 63
  101 18 18
  102 10 10
  103 17 17
  104 2 2
  105 2 2
  110 4 4
  111 1 1
  112 12 12
  113 3 3
  114 24 24
  115 14 14
  116 6 6
  117 11 11
  118 2 2
  119 3 3
  126 6 6
  127 5 5
  128 999 999
  129 159 159
  130 86 86
  131 21 21
  132 12 12
  133 22 22
  134 4 4
  135 2 2
  138 3 3
  139 1 1
  140 2 2
  142 2 2
  143 2 2
  144 7 7
  145 2 2
  146 5 5
  147 89 89
  148 15 15
  149 19 19
  150 2 2
  151 1 1
  152 1 1
  156 13 13
  157 9 9
  158 13 13
  159 3 3
  160 2 2
  161 1 1
  172 3 3
  173 39 39
  174 9 9
  175 23 23
  176 3 3
  177 1 1
  186 1 1
  188 1 1
  191 1 1
  202 57 57
  203 16 16
  204 7 7
  205 1 1
  216 2 2
  217 1 1
  218 27 27
  219 10 10
  220 3 3
  221 1 1
  228 6 6
  229 2 2
  230 23 23
  231 5 5
  232 3 3
  245 3 3
  246 16 16
  247 8 8
  248 3 3
  249 1 1
  256 2 2
  274 3 3
  275 1 1
  292 1 1
  318 34 34
  319 11 11
  320 6 6
  321 1 1
  330 2 2
  420 2 2
  421 1 1
//