MassBank Record: JP002979



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

ACCESSION: JP002979
RECORD_TITLE: 1,4,5,7-TETRA-O-ACETYL-2,6-ANHYDRO-3-DEOXY-D-MANNO-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$NAME: 1,4,5,7-TETRA-O-ACETYL-2,6-ANHYDRO-3-DEOXY-D-MANNO-HEPTITOL CH$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-/m0/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: splash10-0jc0-9600000000-86890f726ed355f8254b PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 51 5 50 54 23 230 58 10 100 62 0.3 3 69 99 990 70 25 250 71 40 400 72 1 10 80 16 160 81 30 300 83 60 600 93 0.6 6 95 13 130 99 15 150 100 40 400 110 0.6 6 111 99.99 999 112 20 200 122 1 10 124 5 50 141 3 30 142 9 90 145 5 50 153 3.5 35 166 12 120 171 8 80 184 25 250 185 0.5 5 201 2 20 213 20 200 226 2 20 273 0.1 1 286 1 10 //