MassBank Record: JP002978



 1,4,5,7-TETRA-O-ACETYL-2,6-ANHYDRO-3-DEOXY-D-GLUCO-HEPTITOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //