Dataset

Man6GlcNAc-V; LC-ESI-QQ; MS2; CE:30V; Amide

This MassBank record with Accession MSBNK-Fukuyama_Univ-FU000097 contains the MS2 mass spectrum of Man6GlcNAc-V with the InChIkey BYNNHMOKYKVNMF-AXPJNKMQSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C44H75NO36/c1-9(52)45-17-24(59)33(15(7-51)70-38(17)68)77-42-32(67)35(23(58)16(76-42)8-69-39-31(66)34(22(57)14(6-50)71-39)78-40-29(64)25(60)18(53)10(2-46)72-40)79-43-37(28(63)21(56)12(4-48)74-43)81-44-36(27(62)20(55)13(5-49)75-44)80-41-30(65)26(61)19(54)11(3-47)73-41/h10-44,46-51,53-68H,2-8H2,1H3,(H,45,52)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33-,34+,35+,36+,37+,38-,39+,40-,41-,42+,43-,44-/m1/s1
SMILES CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O
InChI Key BYNNHMOKYKVNMF-AXPJNKMQSA-N
Molecular Formula C44H75NO36
Exact Mass 1193.407 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fukuyama_Univ-FU000097
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • N-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155675 ChEBI
    91851814 PubChem
    The data in this table is sourced from UniChem at EBI.