Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Info

InChI	InChI=1S/C22H24N2O4/c1-5-18(25)23-20-12(2)22(15-9-7-6-8-14(15)21(26)24-22)16-10-13(27-3)11-17(28-4)19(16)20/h6-12,20H,5H2,1-4H3,(H,23,25)(H,24,26)/t12-,20-,22-/m1/s1
SMILES	CCC(=O)N[C@H]1c2c(OC)cc(cc2[C@]2([C@@H]1C)NC(=O)c1c2cccc1)OC
InChI Key	VBWHPRBMTJBBBQ-HBMPAYLNSA-N
Molecular Formula	C22H24N2O4
Exact Mass	380.437 g/mol

Data and Resources

• atmospheric pressure chemical ionisation mass...HTML
  Explore

  • More information
  • Go to resource

• atmospheric-pressur...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VBWHPRBMTJBBBQ-HBMPAYLNSA-N/CHMO0000473
License URL
Source	https://www.chemotion-repository.net/inchikey/VBWHPRBMTJBBBQ-HBMPAYLNSA-N/CHMO0000473
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:06:56.817980
MetadataModified	2024-09-08T03:06:56.817986
MetadataPublished	2024-02-28

Field	Value
Measurement Technique	atmospheric pressure chemical ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.