ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001167
RECORD_TITLE: PERMETHYLATED GALACTOSYL-(BETA1,3)-N-ACETYLGALACTOSAMINYL-(BETA1,4)-(N-ACETYLNEURAMINYL-(ALPHA2,8)-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$NAME: PERMETHYLATED GALACTOSYL-(BETA1,3)-N-ACETYLGALACTOSAMINYL-(BETA1,4)-(N-ACETYLNEURAMINYL-(ALPHA2,8)-N-ACETYLNEURAMINYL(ALPHA2,3))-GALACTOSYL-(BETA1,4)-GLUCITOL
CH$NAME: GD1B
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$SPLASH: splash10-0ufu-0094100000-041a63896f82c2923e25
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
  220 55.5 555
  221 9 90
  228 50.5 505
  229 0.92 9
  238 53 530
  239 6 60
  246 44 440
  247 0.3 3
  252 35.1 351
  253 66.5 665
  254 30 300
  260 0.7 7
  270 16.3 163
  298 12 120
  299 4 40
  344 99.99 999
  345 20.7 207
  346 16.8 168
  361 8.6 86
  362 1.61 16
  363 5.4 54
  376 22.5 225
  377 6.4 64
  378 0.54 5
  379 8.9 89
  392 4.6 46
  393 11.4 114
  394 0.64 6
  426 7.8 78
  427 3 30
  442 4 40
  443 0.35 4
  464 46.5 465
  465 13.9 139
  466 6.1 61
  516 0.2 2
  631 1.4 14
  654 1.6 16
  655 0.8 8
  670 0.12 1
  671 0.6 6
  705 2.2 22
  706 0.9 9
  713 0.24 2
  714 1 10
  754 2.6 26
  755 2 20
  756 0.07 1
  906 6.1 61
  907 3.5 35
  908 1.8 18
  909 0.35 4
  910 1.6 16
  923 6.5 65
  924 3 30
  925 0.1 1
  937 1.3 13
  938 0.5 5
  1014 0.1 1
  1015 0.01 0
  1016 0.1 1
  1031 0.1 1
  1032 0.2 2
  1033 0.01 0
  1047 0.1 1
  1048 0.2 2
  1049 0.1 1
  1062 0.01 0
  1063 0.2 2
  1064 0.1 1
  1079 0.1 1
  1080 0.02 0
  1081 0.1 1
  1163 0.1 1
  1178 0.2 2
  1179 0.01 0
  1266 0.4 4
  1267 0.3 3
  1283 0.2 2
  1284 0.01 0
  1641 0.1 1
  1642 0.2 2
  1643 0.1 1
  1659 0.1 1
//