ACCESSION: MSBNK-Osaka_Univ-OUF00343
RECORD_TITLE: Maltotriose; GC-EI-TOF; MS; n TMS; RT:1250.265 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$NAME: Maltotriose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₈H₃₂O₁₆
CH$EXACT_MASS: 504.16903
CH$SMILES: OCC(O1)C(O)C(O)C(O)C1OC(C(CO)3)C(O)C(O)C(O3)OC(C(CO)2)C(O)C(O)C(O)O2
CH$IUPAC: InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1
CH$LINK: CAS 1109-28-0
CH$LINK: CHEMSPIDER 83192
CH$LINK: PUBCHEM 92146
CH$LINK: INCHIKEY FYGDTMLNYKFZSV-DZOUCCHMSA-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$CHROMATOGRAPHY: RETENTION_INDEX 3566.585
AC$CHROMATOGRAPHY: RETENTION_TIME 1250.265 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0udj-0972000000-4b10e9ea754fa393dc86
PK$NUM_PEAK: 181
PK$PEAK: m/z int. rel.int.
  87 59 59
  88 37 37
  89 107 107
  90 19 19
  91 49 49
  95 3 3
  99 19 19
  100 55 55
  101 80 80
  102 61 61
  103 349 349
  104 27 27
  105 33 33
  109 52 52
  110 43 43
  111 8 8
  112 16 16
  114 8 8
  115 2 2
  116 54 54
  117 232 232
  118 50 50
  119 61 61
  128 3 3
  129 189 189
  130 15 15
  131 68 68
  132 10 10
  133 153 153
  136 12 12
  137 4 4
  143 105 105
  145 74 74
  147 755 755
  148 54 54
  149 52 52
  150 34 34
  152 40 40
  155 3 3
  157 36 36
  158 29 29
  160 97 97
  161 5 5
  164 21 21
  165 15 15
  166 11 11
  168 29 29
  169 133 133
  171 156 156
  172 60 60
  173 6 6
  174 11 11
  178 1 1
  180 8 8
  182 19 19
  183 17 17
  187 25 25
  188 10 10
  189 48 48
  190 5 5
  191 203 203
  195 2 2
  198 14 14
  199 17 17
  200 58 58
  202 30 30
  203 17 17
  204 999 999
  205 327 327
  206 123 123
  208 12 12
  209 34 34
  212 5 5
  213 21 21
  217 373 373
  218 20 20
  219 93 93
  221 26 26
  226 5 5
  228 12 12
  229 51 51
  230 31 31
  231 75 75
  232 36 36
  233 72 72
  235 25 25
  238 8 8
  239 12 12
  241 2 2
  244 68 68
  245 41 41
  246 11 11
  247 47 47
  250 1 1
  251 28 28
  255 8 8
  257 52 52
  258 23 23
  259 8 8
  260 1 1
  267 5 5
  268 18 18
  270 20 20
  271 136 136
  272 45 45
  275 15 15
  276 16 16
  277 30 30
  282 11 11
  283 10 10
  287 12 12
  288 11 11
  289 11 11
  292 12 12
  293 15 15
  297 13 13
  299 34 34
  302 5 5
  304 17 17
  305 41 41
  308 11 11
  314 11 11
  316 1 1
  319 49 49
  321 23 23
  322 23 23
  327 21 21
  329 43 43
  330 2 2
  331 15 15
  332 37 37
  333 24 24
  334 31 31
  335 12 12
  336 18 18
  338 24 24
  347 2 2
  358 37 37
  360 73 73
  361 286 286
  362 168 168
  363 23 23
  364 19 19
  374 4 4
  376 15 15
  377 11 11
  385 7 7
  390 20 20
  391 41 41
  393 16 16
  399 25 25
  401 17 17
  402 9 9
  407 3 3
  409 14 14
  414 18 18
  421 14 14
  422 1 1
  423 11 11
  424 8 8
  429 25 25
  430 1 1
  441 3 3
  448 3 3
  449 12 12
  450 29 29
  453 48 48
  455 2 2
  458 13 13
  459 3 3
  460 39 39
  462 12 12
  463 13 13
  464 1 1
  466 8 8
  468 29 29
  471 14 14
  479 2 2
  480 1 1
  495 4 4
  497 1 1
//