ACCESSION: MSBNK-Osaka_Univ-OUF00251
RECORD_TITLE: DL-Glyceraldehyde; GC-EI-TOF; MS; n TMS; RT:390.859 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$NAME: DL-Glyceraldehyde
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₃H₆O₃
CH$EXACT_MASS: 90.03169
CH$SMILES: [H]C([H])(O)C([H])(O)C=O
CH$IUPAC: InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2
CH$LINK: CAS 56-82-6
CH$LINK: CHEBI 5445
CH$LINK: CHEMSPIDER 731
CH$LINK: KEGG C02154
CH$LINK: PUBCHEM CID:751
CH$LINK: INCHIKEY MNQZXJOMYWMBOU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90861586

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$CHROMATOGRAPHY: RETENTION_INDEX 1209.760
AC$CHROMATOGRAPHY: RETENTION_TIME 390.859 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0udj-1900000000-66c3a7fb073f6c5c86a0
PK$NUM_PEAK: 117
PK$PEAK: m/z int. rel.int.
  85 59 59
  86 81 81
  87 60 60
  88 82 82
  89 613 613
  90 60 60
  91 43 43
  97 1 1
  98 20 20
  99 43 43
  100 571 571
  101 312 312
  102 263 263
  103 999 999
  104 109 109
  105 291 291
  106 27 27
  107 12 12
  111 2 2
  112 22 22
  113 12 12
  114 80 80
  115 79 79
  116 65 65
  117 369 369
  118 47 47
  119 66 66
  120 9 9
  121 4 4
  122 1 1
  124 1 1
  126 16 16
  127 18 18
  128 56 56
  129 35 35
  130 23 23
  131 115 115
  132 22 22
  133 663 663
  134 84 84
  135 56 56
  136 6 6
  139 4 4
  142 25 25
  143 18 18
  144 12 12
  145 9 9
  146 9 9
  147 978 978
  148 166 166
  149 121 121
  150 15 15
  158 29 29
  159 5 5
  160 451 451
  161 59 59
  162 18 18
  163 295 295
  164 54 54
  165 29 29
  172 14 14
  173 18 18
  174 35 35
  175 32 32
  176 5 5
  186 12 12
  187 6 6
  188 2 2
  189 48 48
  190 24 24
  191 90 90
  192 10 10
  193 4 4
  197 1 1
  201 15 15
  202 61 61
  203 8 8
  204 18 18
  205 15 15
  206 4 4
  208 1 1
  216 48 48
  217 129 129
  218 32 32
  219 11 11
  232 41 41
  233 15 15
  235 1 1
  238 1 1
  248 20 20
  250 3 3
  263 46 46
  264 8 8
  265 1 1
  269 1 1
  274 4 4
  276 2 2
  279 1 1
  284 3 3
  301 2 2
  314 1 1
  328 4 4
  339 1 1
  344 4 4
  360 1 1
  386 4 4
  390 1 1
  391 1 1
  415 1 1
  430 2 2
  433 2 2
  446 1 1
  452 1 1
  471 1 1
  483 1 1
  489 2 2
  492 1 1
//