MassBank Record: JP002980



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

ACCESSION: JP002980
RECORD_TITLE: 1,3,4,5,7-PENTA-O-ACETYL-2,6-ANHYDRO-D-GLYCERO-D-GULO-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$NAME: 1,3,4,5,7-PENTA-O-ACETYL-2,6-ANHYDRO-D-GLYCERO-D-GULO-HEPTITOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H24O11 CH$EXACT_MASS: 404.13186 CH$SMILES: CC(=O)OCC([H])(O1)C([H])(OC(C)=O)C([H])(OC(C)=O)C([H])(OC(C)=O)C([H])(COC(C)=O)1 CH$IUPAC: InChI=1S/C17H24O11/c1-8(18)23-6-13-15(25-10(3)20)17(27-12(5)22)16(26-11(4)21)14(28-13)7-24-9(2)19/h13-17H,6-7H2,1-5H3
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: splash10-01wk-6960000000-ba9aae63a11235e881cb PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 69 55.5 555 73 22.7 227 81 40.9 409 84 0.45 5 86 13.6 136 97 90.9 909 100 4.5 45 102 2.27 23 111 18.2 182 112 18.2 182 124 2.7 27 135 0.09 1 136 1.8 18 139 72.7 727 140 36.4 364 141 2.27 23 145 54.5 545 148 2.7 27 158 7.3 73 178 0.09 1 182 90.9 909 200 11.8 118 201 2.7 27 206 0.09 1 211 90.9 909 213 4.5 45 224 99.99 999 242 2.73 27 243 4.5 45 284 4.5 45 302 1.8 18 344 1.8 18 //