ACCESSION: MSBNK-Osaka_Univ-OUF00353
RECORD_TITLE: meso-Erythritol; GC-EI-TOF; MS; n TMS; RT:547.394 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$NAME: meso-Erythritol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₁₀O₄
CH$EXACT_MASS: 122.05791
CH$SMILES: C([C@H]([C@H](CO)O)O)O
CH$IUPAC: InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
CH$LINK: CAS 149-32-6
CH$LINK: CHEBI 17113
CH$LINK: CHEMSPIDER 192963
CH$LINK: INCHIKEY UNXHWFMMPAWVPI-ZXZARUISSA-N
CH$LINK: COMPTOX DTXSID6043919
CH$LINK: PUBCHEM CID:222285

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$CHROMATOGRAPHY: RETENTION_INDEX 1489.617
AC$CHROMATOGRAPHY: RETENTION_TIME 547.394 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0gba-0930000000-dc2d1a78c7a0457d1e5e
PK$NUM_PEAK: 156
PK$PEAK: m/z int. rel.int.
  85 5 5
  86 1 1
  87 39 39
  88 27 27
  89 76 76
  90 3 3
  93 3 3
  95 1 1
  96 1 1
  97 4 4
  99 26 26
  101 151 151
  102 27 27
  103 657 657
  104 70 70
  105 42 42
  106 7 7
  108 3 3
  109 3 3
  110 2 2
  111 1 1
  112 10 10
  113 13 13
  115 51 51
  116 200 200
  117 524 524
  118 64 64
  119 51 51
  120 4 4
  121 5 5
  124 1 1
  126 2 2
  127 10 10
  128 1 1
  129 202 202
  130 40 40
  131 93 93
  132 19 19
  133 227 227
  134 31 31
  135 38 38
  136 3 3
  141 14 14
  142 12 12
  143 44 44
  144 11 11
  145 8 8
  146 9 9
  147 999 999
  148 170 170
  149 100 100
  150 25 25
  151 11 11
  153 3 3
  155 1 1
  158 5 5
  159 14 14
  161 12 12
  162 11 11
  163 10 10
  165 5 5
  166 3 3
  168 1 1
  170 1 1
  172 2 2
  173 6 6
  175 18 18
  177 3 3
  178 3 3
  181 5 5
  182 3 3
  183 3 3
  184 5 5
  185 3 3
  186 4 4
  188 1 1
  189 172 172
  190 49 49
  191 146 146
  192 23 23
  193 11 11
  194 1 1
  195 3 3
  196 1 1
  198 3 3
  199 4 4
  202 7 7
  203 11 11
  204 182 182
  205 349 349
  206 67 67
  207 46 46
  208 7 7
  209 8 8
  215 11 11
  216 8 8
  217 629 629
  218 133 133
  219 61 61
  220 2 2
  221 28 28
  222 5 5
  230 10 10
  231 34 34
  232 11 11
  234 4 4
  235 1 1
  237 1 1
  238 2 2
  246 2 2
  247 3 3
  248 6 6
  249 2 2
  250 2 2
  256 1 1
  259 3 3
  260 1 1
  261 1 1
  264 1 1
  266 1 1
  273 2 2
  274 1 1
  276 1 1
  277 14 14
  278 9 9
  279 3 3
  280 3 3
  283 2 2
  291 2 2
  292 4 4
  293 33 33
  294 8 8
  295 6 6
  301 1 1
  304 1 1
  305 5 5
  306 7 7
  307 49 49
  308 19 19
  309 7 7
  311 1 1
  320 23 23
  322 6 6
  324 1 1
  363 1 1
  393 1 1
  395 3 3
  396 1 1
  397 2 2
  412 2 2
  413 1 1
  416 3 3
  463 1 1
  464 2 2
  481 2 2
  496 1 1
//