MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001163
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001163
RECORD_TITLE: PERMETHYLATED N-ACETYLGALCTOSAMINYL-(BETA1,4)-(N-ACETYLNEURAMINYL(ALPHA2,3))-GALACTOSAMINYL-(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$NAME: PERMETHYLATED N-ACETYLGALCTOSAMINYL-(BETA1,4)-(N-ACETYLNEURAMINYL(ALPHA2,3))-GALACTOSAMINYL-(BETA1,4)-GLUCITOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C48H88N2O24
CH$EXACT_MASS: 1076.5727
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$SPLASH: splash10-03di-0092000000-4226ddfdaf59909c1b8d
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
208 22.7 227
209 3 30
214 14.4 144
215 0.12 1
228 23.4 234
229 3.8 38
235 16 160
236 0.14 1
240 13.5 135
246 43.5 435
247 10 100
248 0.36 4
253 39.7 397
254 10 100
255 2.2 22
260 99.99 999
261 18.4 184
262 5.5 55
270 10.5 105
271 0.2 2
278 11.2 112
279 2.2 22
334 27.8 278
335 0.53 5
344 38.7 387
345 9.5 95
346 3.3 33
376 0.93 9
377 2.5 25
393 3.1 31
394 1 10
426 0.36 4
442 2 20
450 2.9 29
458 2.5 25
459 0.18 2
460 2.7 27
461 1 10
550 1 10
566 0.17 2
640 0.6 6
641 0.4 4
642 0.8 8
643 0.04 0
656 1.1 11
657 0.8 8
658 0.5 5
670 0.08 1
673 0.9 9
686 1 10
687 0.9 9
702 0.36 4
703 1.2 12
719 4.5 45
720 1.9 19
733 0.29 3
803 1.4 14
804 0.6 6
817 0.8 8
818 0.03 0
841 0.8 8
842 0.2 2
1077 0.8 8
1078 0.05 1
1094 1 10
1095 0.5 5
//