Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C12H21O9P3/c1-16-22(13,17-2)10-7-11(23(14,18-3)19-4)9-12(8-10)24(15,20-5)21-6/h7-9H,1-6H3
SMILES	COP(=O)(c1cc(cc(c1)P(=O)(OC)OC)P(=O)(OC)OC)OC
InChI Key	SZWWJNWOTTYFSA-UHFFFAOYSA-N
Molecular Formula	C12H21O9P3
Exact Mass	402.211 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SZWWJNWOTTYFSA-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/SZWWJNWOTTYFSA-UHFFFAOYSA-N/CHMO0000563
Version
Author	Christoph Zippel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:32:21.444153
MetadataModified	2024-09-07T21:02:57.145881
MetadataPublished	2022-01-10

Field	Value
Measurement Technique	fast-atom bombardment mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
16429393	PubChem: Thomson Pharma
11338596	PubChem
J1.751.843G	Nikkaji
The data in this table is sourced from UniChem at EBI.