MassBank Record: JP001177



 PERACETYLATED GALACTOSYL-(BETA1,4)-GLUCITOL; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001177
RECORD_TITLE: PERACETYLATED GALACTOSYL-(BETA1,4)-GLUCITOL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: PERACETYLATED GALACTOSYL-(BETA1,4)-GLUCITOL CH$NAME: PERACETYLATED LACTITOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C30H42O20 CH$EXACT_MASS: 722.22694 CH$SMILES: O(C(C)=O)C(C([H])1OC(C)=O)([H])C(OC([H])(C1([H])OC(C)=O)COC(C)=O)(OC(C(COC(C)=O)([H])OC(C)=O)([H])C(OC(C)=O)([H])C(OC(C)=O)([H])COC(C)=O)[H] CH$IUPAC: InChI=1S/C30H42O20/c1-13(31)40-10-22(43-16(4)34)25(45-18(6)36)26(23(44-17(5)35)11-41-14(2)32)50-30-29(48-21(9)39)28(47-20(8)38)27(46-19(7)37)24(49-30)12-42-15(3)33/h22-30H,10-12H2,1-9H3/t22-,23?,24?,25+,26+,27-,28?,29-,30-/m0/s1
AC$INSTRUMENT: SHIMADZU LKB-9000 AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 500 eV AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-001i-0009000000-e54e5fa358d01b4ef6e5 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 111 0.42 4 125 0.21 2 153 0.83 8 157 0.43 4 169 0.48 5 187 0.94 9 189 0.15 2 213 0.42 4 222 0.49 5 235 0.22 2 257 0.26 3 273 2.08 21 317 0.26 3 331 99.99 999 332 1.05 11 333 2.14 21 375 2.43 24 376 0.53 5 403 0.08 1 439 0.05 1 547 0.03 0 606 0.03 0 663 1.8 18 //