MassBank Record: JP001162



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

ACCESSION: JP001162
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$MASS_SPECTROMETRY: REAGENT_GAS AMMONIA
PK$SPLASH: splash10-0005-0089000080-4027620b2f8dc54c33ea PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 222 16.5 165 472 0.22 2 223 2.9 29 474 1.29 13 235 12.2 122 475 0.36 4 236 5 50 580 0.22 2 238 7.5 75 581 0.1 1 239 2.2 22 597 0.86 9 253 36.7 367 598 0.36 4 254 7.2 72 803 0.62 6 255 2 20 804 0.31 3 268 5 50 817 0.22 2 269 1.4 14 818 0.1 1 270 6.5 65 832 0.35 4 271 1.4 14 833 0.14 1 298 5.8 58 849 99.99 999 299 1.5 15 850 4.68 47 334 15.1 151 851 1.44 14 335 3.6 36 863 0.14 1 344 80.6 806 880 0.2 2 345 9.4 94 894 1.8 18 346 0.65 7 351 0.5 5 362 0.36 4 376 3.53 35 377 0.79 8 378 0.43 4 393 1.44 14 394 0.72 7 395 0.14 1 457 0.44 4 458 2.2 22 //