MassBank Record: JP001166



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

ACCESSION: JP001166
RECORD_TITLE: PERMETHYLATED N-ACETYLNEURAMINYL-(ALPHA2,3)-GALACTOSYL-(BETA1,3)-N-ACETYLGALACTOSAMINYL-(BETA1,4)-(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$NAME: PERMETHYLATED N-ACETYLNEURAMINYL-(ALPHA2,3)-GALACTOSYL-(BETA1,3)-N-ACETYLGALACTOSAMINYL-(BETA1,4)-(N-ACETYLNEURAMINYL(ALPHA2,3))-GALACTOSYL-(BETA1,4)-GLUCITOL CH$NAME: GD1A CH$COMPOUND_CLASS: N/A CH$FORMULA: C73H131N3O37 CH$EXACT_MASS: 1641.84614 CH$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: splash10-0f9y-0049000000-c8a18b919c7654999ad7 PK$NUM_PEAK: 85 PK$PEAK: m/z int. rel.int. 216 41.3 413 217 6.2 62 220 20 200 221 0.31 3 228 24.7 247 229 4.5 45 246 39.3 393 247 0.28 3 253 23.3 233 254 4.7 47 260 20.7 207 261 0.45 5 334 70 700 335 13.3 133 336 2 20 344 99.99 999 345 23.3 233 346 12 120 351 32 320 352 0.73 7 362 30 300 363 5 50 376 46 460 377 0.55 6 393 18.7 187 394 9.5 95 395 3 30 426 0.47 5 442 1.2 12 450 10.7 107 451 3 30 464 0.67 7 534 2.3 23 535 1.3 13 536 1.8 18 537 0.11 1 550 2.7 27 551 1.3 13 552 2.3 23 553 0.13 1 566 2.4 24 567 1.2 12 580 1.5 15 581 0.1 1 582 0.5 5 597 2.5 25 598 0.7 7 613 0.2 2 640 2 20 641 1 10 670 1 10 671 0.05 1 687 1.7 17 688 0.9 9 811 1.3 13 817 0.23 2 818 0.6 6 825 2 20 826 0.3 3 841 0.15 2 892 0.4 4 909 0.3 3 1014 0.3 3 1015 0.04 0 1016 0.3 3 1030 0.1 1 1031 0.3 3 1032 0.02 0 1045 0.2 2 1046 0.1 1 1047 0.2 2 1048 0.02 0 1062 0.2 2 1063 0.1 1 1077 0.3 3 1078 0.02 0 1093 0.2 2 1094 0.3 3 1095 0.2 2 1220 0.01 0 1250 0.1 1 1266 0.2 2 1267 0.1 1 1283 0.02 0 1284 0.1 1 //