Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C16H14O4/c17-9-5-6-10(18)14-13(9)15(19)11-7-1-2-8(4-3-7)12(11)16(14)20/h1-2,5-8,11-12,17-18H,3-4H2
SMILES	O=C1C2C3CCC(C2C(=O)c2c1c(O)ccc2O)C=C3
InChI Key	BAIIBWAJMHXQDL-UHFFFAOYSA-N
Molecular Formula	C16H14O4
Exact Mass	270.280 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BAIIBWAJMHXQDL-UHFFFAOYSA-N/Mass/EI.1
License URL
Source	https://www.chemotion-repository.net/inchikey/BAIIBWAJMHXQDL-UHFFFAOYSA-N/Mass/EI.1
Version
Author	Tim Wezeman
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:22:00.948409
MetadataModified	2024-09-07T13:48:44.265427
MetadataPublished	2014-08-21

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
77050805	PubChem
The data in this table is sourced from UniChem at EBI.