MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001161
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001161
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: splash10-0005-0098000080-55ed989fa5ac52733ca5
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
222 16.5 165
223 2.9 29
235 12.2 122
236 5 50
238 7.5 75
239 2.2 22
253 36.7 367
254 7.2 72
255 2 20
268 5 50
269 1.4 14
270 6.5 65
271 1.4 14
298 5.8 58
299 1.5 15
334 15.1 151
335 3.6 36
344 80.6 806
345 9.4 94
472 0.22 2
474 1.29 13
475 0.36 4
580 0.22 2
581 0.1 1
597 0.86 9
598 0.36 4
803 0.62 6
804 0.31 3
817 0.22 2
818 0.1 1
832 0.35 4
833 0.14 1
849 99.99 999
850 4.68 47
851 1.44 14
863 0.14 1
880 0.2 2
894 1.8 18
//