MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002978
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002978
RECORD_TITLE: 1,4,5,7-TETRA-O-ACETYL-2,6-ANHYDRO-3-DEOXY-D-GLUCO-HEPTITOL; 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$NAME: 1,4,5,7-TETRA-O-ACETYL-2,6-ANHYDRO-3-DEOXY-D-GLUCO-HEPTITOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O9
CH$EXACT_MASS: 346.12638
CH$SMILES: CC(=O)OCC([H])(O1)CC([H])(OC(C)=O)C([H])(OC(C)=O)C([H])(COC(C)=O)1
CH$IUPAC: InChI=1S/C15H22O9/c1-8(16)20-6-12-5-13(22-10(3)18)15(23-11(4)19)14(24-12)7-21-9(2)17/h12-15H,5-7H2,1-4H3/t12-,13-,14-,15+/m1/s1
CH$LINK: INCHIKEY
BWUOHRDTHUBKLA-TUVASFSCSA-N
AC$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$SPLASH: splash10-0gx0-3900000000-bd4d6e5ae5f71ab1ac77
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
51 2.2 22
54 17.8 178
62 2.2 22
67 0.67 7
69 55.6 556
70 13.3 133
80 2.2 22
81 3.11 31
83 53.3 533
84 11.1 111
85 4.4 44
93 5.78 58
95 11.1 111
99 26.7 267
100 77.8 778
102 1.78 18
103 28.9 289
110 6.7 67
111 88.9 889
112 1.33 13
122 2.2 22
124 66.7 667
142 28.9 289
144 0.67 7
145 13.3 133
153 33.3 333
155 4.4 44
166 2.22 22
171 13.3 133
184 99.99 999
185 22.2 222
201 1.78 18
213 22.2 222
226 11.1 111
244 2.2 22
273 0.22 2
286 2.2 22
//