Dataset

T-2 Toxin

This MassBank record with Accession MSBNK-AAFC-AC000237 contains the MS2 mass spectrum of T-2 Toxin with the InChIkey BXFOFFBJRFZBQZ-QYWOHJEZSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1
SMILES CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C
InChI Key BXFOFFBJRFZBQZ-QYWOHJEZSA-N
Molecular Formula C24H34O9
Exact Mass 466.220 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-AC000237
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:23:01.164040
MetadataModified 2024-01-11T09:23:01.300487
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL152423 ChEMBL
CB6469458 ChemicalBook
J3.789C Nikkaji
MTBLC9381 Metabolights
DTXSID6021298 EPA CompTox Dashboard
DUTJIL CCDC
9381 ChEBI
138832 Brenda
ZINC000016052538 ZINC
SCHEMBL7536392 SureChEMBL
I3FL5NM3MO FDA SRS
PD020005 ProbesDrugs
70053623 NMRShiftDB
21259-20-1 ACToR
594898 eMolecules
5284461 PubChem
The data in this table is sourced from UniChem at EBI.