Dataset

T-2 tetraol

This MassBank record with Accession MSBNK-AAFC-AC000628 contains the MS2 mass spectrum of T-2 tetraol with the InChIkey ZAXZBJSXSOISTF-ZSTBYQRGSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H22O6/c1-7-3-9-14(5-16,4-8(7)17)13(2)11(19)10(18)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3/t8-,9+,10+,11+,12+,13+,14+,15?/m0/s1
SMILES CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)O)C)CO
InChI Key ZAXZBJSXSOISTF-ZSTBYQRGSA-N
Molecular Formula C15H22O6
Exact Mass 298.142 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-AAFC-AC000628
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:22:22.816852
MetadataModified 2024-01-11T09:22:22.986968
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
34114-99-3 ACToR
SCHEMBL19971587 SureChEMBL
CB7498422 ChemicalBook
3034745 PubChem
The data in this table is sourced from UniChem at EBI.