MassBank MassBank Search Contents Download

MassBank Record: OUF00252

DL-Glyceraldehyde; GC-EI-TOF; MS; n TMS; RT:382.059 sec

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: OUF00252
RECORD_TITLE: DL-Glyceraldehyde; GC-EI-TOF; MS; n TMS; RT:382.059 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$CHROMATOGRAPHY: RETENTION_INDEX 1195.469
AC$CHROMATOGRAPHY: RETENTION_TIME 382.059 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0udi-1900000000-3fd8dc5205f5abb770ca
PK$NUM_PEAK: 92
PK$PEAK: m/z int. rel.int.
  85 35 35
  86 54 54
  87 59 59
  88 48 48
  89 884 884
  90 96 96
  91 23 23
  99 21 21
  100 533 533
  101 255 255
  102 225 225
  103 999 999
  104 112 112
  105 214 214
  107 10 10
  113 2 2
  114 59 59
  115 47 47
  116 42 42
  117 502 502
  118 52 52
  119 42 42
  120 9 9
  125 8 8
  126 27 27
  127 3 3
  128 18 18
  129 15 15
  130 12 12
  131 284 284
  132 28 28
  133 527 527
  134 62 62
  135 27 27
  142 17 17
  143 7 7
  146 9 9
  147 759 759
  148 110 110
  149 60 60
  158 15 15
  160 252 252
  161 16 16
  163 66 66
  164 7 7
  165 4 4
  172 4 4
  173 19 19
  176 5 5
  185 4 4
  189 113 113
  190 10 10
  191 107 107
  192 12 12
  200 106 106
  201 24 24
  212 7 7
  213 9 9
  216 16 16
  218 8 8
  223 1 1
  232 52 52
  233 2 2
  244 6 6
  248 3 3
  257 2 2
  263 47 47
  264 9 9
  269 2 2
  271 2 2
  275 2 2
  277 6 6
  296 1 1
  302 6 6
  319 4 4
  321 3 3
  325 2 2
  335 2 2
  343 1 1
  344 3 3
  356 5 5
  359 1 1
  368 4 4
  395 1 1
  398 8 8
  408 1 1
  411 5 5
  425 2 2
  435 4 4
  448 5 5
  478 2 2
  487 5 5
//

system version 2.1.10
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium