MassBank Record: OUF00405



 O-Succinyl-L-Homoserine; GC-EI-TOF; MS; n TMS; RT:785.748 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00405
RECORD_TITLE: O-Succinyl-L-Homoserine; GC-EI-TOF; MS; n TMS; RT:785.748 sec
DATE: 2016.01.19 (2010.05.20, 2013.04.24)
AUTHORS: Tsujimoto Yengineering department, Osaka Univ., Tsugawa Hengineering department, Osaka Univ., Bamba Tengineering department, Osaka Univ., Fukusaki Eengineering department, Osaka Univ., 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$LINK: PUBCHEM 439406 CH$LINK: INCHIKEY GNISQJGXJIDKDJ-YFKPBYRVSA-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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min AC$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 //