MassBank Record: JP001169



 PERMETHYLATED N-ACETYLNEURAMINYL-(ALPHA2,3)-GALACTOSYL-(BETA1,4)-GLUCITOL; CI-B; MS 
Mass Spectrum
Chemical Structure

ACCESSION: JP001169
RECORD_TITLE: PERMETHYLATED N-ACETYLNEURAMINYL-(ALPHA2,3)-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$NAME: PERMETHYLATED N-ACETYLNEURAMINYL-(ALPHA2,3)-GALACTOSYL-(BETA1,4)-GLUCITOL CH$NAME: GM3 CH$COMPOUND_CLASS: N/A CH$FORMULA: C37H69NO19 CH$EXACT_MASS: 831.44638 CH$SMILES: N/A CH$IUPAC: N/A
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 300 eV AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0006-0079000000-a913a8e51f19abac9186 PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 205 22.1 221 578 0.09 1 206 5 50 579 0.04 0 207 2 20 580 0.18 2 221 29.8 298 581 0.04 0 222 3.8 38 786 0.57 6 223 1 10 787 0.2 2 235 21.9 219 831 0.04 0 236 4.1 41 832 0.13 1 237 1.2 12 833 0.5 5 252 0.1 1 253 5.56 56 254 0.99 10 255 0.28 3 334 1.4 14 335 0.29 3 344 99.99 999 345 2.34 23 346 1.93 19 376 7.19 72 377 1.4 14 378 0.41 4 394 0.26 3 406 0.29 3 407 0.1 1 425 0.23 2 426 0.08 1 457 0.46 5 458 0.1 1 534 0.25 3 535 0.9 9 //