ACCESSION: MSBNK-Osaka_Univ-OUF00293
RECORD_TITLE: L-(+)-Tartaric acid; GC-EI-TOF; MS; n TMS; RT:611.094 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$NAME: L-(+)-Tartarate
CH$NAME: L-(+)-Tartaric acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₆O₆
CH$EXACT_MASS: 150.01644
CH$SMILES: OC(=O)C([H])(O)C([H])(O)C(O)=O
CH$IUPAC: InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1
CH$LINK: CAS 87-69-4
CH$LINK: CHEBI 15671 30924
CH$LINK: CHEMSPIDER 392277
CH$LINK: KEGG D00103 D00679 D00837 D01561 D01850 D01852 D02238 D02836 D02981 D03825
CH$LINK: PUBCHEM CID:444305
CH$LINK: INCHIKEY FEWJPZIEWOKRBE-JCYAYHJZSA-N
CH$LINK: COMPTOX DTXSID8023632

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$CHROMATOGRAPHY: RETENTION_INDEX 1620.895
AC$CHROMATOGRAPHY: RETENTION_TIME 611.094 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0002-0930000000-19235937e21066a9c484
PK$NUM_PEAK: 144
PK$PEAK: m/z int. rel.int.
  85 12 12
  86 4 4
  87 16 16
  88 5 5
  89 8 8
  90 1 1
  91 1 1
  92 2 2
  93 6 6
  95 3 3
  96 2 2
  97 1 1
  98 1 1
  99 20 20
  100 4 4
  101 25 25
  102 142 142
  103 73 73
  104 13 13
  105 13 13
  106 1 1
  107 1 1
  113 5 5
  114 1 1
  115 27 27
  116 11 11
  117 47 47
  118 7 7
  119 20 20
  120 3 3
  121 2 2
  125 1 1
  127 4 4
  129 6 6
  130 88 88
  131 99 99
  132 20 20
  133 170 170
  134 25 25
  135 16 16
  136 2 2
  141 1 1
  142 4 4
  143 136 136
  144 18 18
  145 12 12
  146 3 3
  147 999 999
  148 162 162
  149 109 109
  150 13 13
  151 5 5
  157 7 7
  158 1 1
  159 5 5
  160 1 1
  161 6 6
  162 1 1
  163 17 17
  164 3 3
  165 2 2
  171 52 52
  172 6 6
  173 10 10
  174 1 1
  175 67 67
  176 11 11
  177 14 14
  178 2 2
  179 1 1
  185 2 2
  187 1 1
  188 1 1
  189 316 316
  190 65 65
  191 71 71
  192 16 16
  193 9 9
  194 2 2
  201 2 2
  203 1 1
  204 18 18
  205 11 11
  206 4 4
  207 20 20
  208 5 5
  209 3 3
  215 3 3
  216 1 1
  217 55 55
  218 12 12
  219 219 219
  220 43 43
  221 104 104
  222 23 23
  223 12 12
  224 2 2
  231 11 11
  232 4 4
  233 2 2
  245 2 2
  259 3 3
  261 1 1
  263 21 21
  264 6 6
  265 3 3
  277 19 19
  278 7 7
  279 9 9
  280 2 2
  281 1 1
  291 3 3
  292 271 271
  293 83 83
  294 41 41
  295 9 9
  296 2 2
  304 1 1
  305 61 61
  306 23 23
  307 12 12
  308 3 3
  321 9 9
  322 3 3
  323 1 1
  333 28 28
  334 10 10
  335 6 6
  336 1 1
  351 6 6
  352 3 3
  353 2 2
  354 1 1
  367 5 5
  368 3 3
  369 2 2
  395 1 1
  396 1 1
  422 2 2
  423 43 43
  424 22 22
  425 11 11
  426 3 3
  438 2 2
//