Dataset

Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO002104 contains the MS2 mass spectrum of Adenylosuccinic acid with the InChIkey OFBHPPMPBOJXRT-VWJPMABRSA-N.

Chemical Info

molecular Image
Synonyms
Adenylosuccinate
N6-(1,2-Dicarboxyethyl)-AMP
Adenylosuccinic acid
InChI InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5-,6+,9+,10+,13+/m0/s1
SMILES OC(=O)CC(C(O)=O)Nc(n3)c(n2)c(nc3)n(c2)C(O1)C(O)C(O)C(COP(O)(O)=O)1
InChI Key OFBHPPMPBOJXRT-VWJPMABRSA-N
Exact Mass 463.07404 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO002104
Version
Author
Maintainer
Language english
Measurement Technique IRI http://purl.obolibrary.org/obo/CHMO_0000524
MetadataCreated 2023-11-20T22:56:09.574191
MetadataModified 2023-11-21T08:05:21.700952
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables