MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001169
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
206 5 50
207 2 20
221 29.8 298
222 3.8 38
223 1 10
235 21.9 219
236 4.1 41
237 1.2 12
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
578 0.09 1
579 0.04 0
580 0.18 2
581 0.04 0
786 0.57 6
787 0.2 2
831 0.04 0
832 0.13 1
833 0.5 5
//