Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C9H13O3P/c1-8-6-4-5-7-9(8)13(10,11-2)12-3/h4-7H,1-3H3
SMILES	COP(=O)(c1ccccc1C)OC
InChI Key	GCSOCNSAUQLHSB-UHFFFAOYSA-N
Molecular Formula	C9H13O3P
Exact Mass	200.171 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GCSOCNSAUQLHSB-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/GCSOCNSAUQLHSB-UHFFFAOYSA-N/CHMO0000470
Version
Author	Christoph Zippel
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:33:12.922648
MetadataModified	2024-09-07T21:04:01.651025
MetadataPublished	2022-01-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL3881646	SureChEMBL
23418468	PubChem
ZINC000139285525	ZINC
J3.322.615B	Nikkaji
The data in this table is sourced from UniChem at EBI.