MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002981
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002981
RECORD_TITLE: 1,2,3',4,6-PENTA-O-ACETYL-3-DEOXY-3-C-HYDROXYMETHYL-ALPHA-D-GLUCOPYRANOSE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 1,2,3',4,6-PENTA-O-ACETYL-3-DEOXY-3-C-HYDROXYMETHYL-ALPHA-D-GLUCOPYRANOSE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H24O11
CH$EXACT_MASS: 404.13186
CH$SMILES: CC(=O)OCC([H])(O1)C([H])(OC(C)=O)C([H])(COC(C)=O)C([H])(OC(C)=O)C([H])(OC(C)=O)1
CH$IUPAC: InChI=1S/C17H24O11/c1-8(18)23-6-13-15(25-10(3)20)14(7-24-9(2)19)28-17(27-12(5)22)16(13)26-11(4)21/h13-17H,6-7H2,1-5H3
CH$LINK: INCHIKEY
SPFFTHPLMGMUFQ-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-9400000000-fd8dfb4272df1409e154
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
53 33.3 333
54 33.3 333
58 31.7 317
70 5.83 58
73 45 450
76 1.7 17
80 3.3 33
81 0.99 10
82 75 750
83 99.99 999
84 53.3 533
85 0.25 3
86 25 250
93 3.3 33
97 33.3 333
98 4.67 47
102 13.3 133
110 20 200
111 43.3 433
116 0.15 2
118 3.3 33
127 23.3 233
139 41.7 417
140 0.25 3
141 5 50
145 15 150
169 20 200
182 0.25 3
183 15 150
199 8.3 83
200 5 50
211 0.67 7
225 6.7 67
242 3.3 33
259 3.3 33
271 0.17 2
273 3.3 33
285 1.7 17
302 1.7 17
331 0.17 2
344 0.3 3
345 8.3 83
361 1.7 17
//