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
594898 eMolecules
DTXSID6021298 EPA CompTox Dashboard
CB6469458 ChemicalBook
MTBLC9381 Metabolights
DUTJIL CCDC
9381 ChEBI
ZINC000016052538 ZINC
138832 Brenda
5284461 PubChem
70053623 NMRShiftDB
21259-20-1 ACToR
I3FL5NM3MO FDA SRS
SCHEMBL7536392 SureChEMBL
PD020005 ProbesDrugs
J3.789C Nikkaji
The data in this table is sourced from UniChem at EBI.