ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
//