Dataset

Pinolenic acid

This MassBank record with Accession MSBNK-BS-BS004017 contains the MS2 mass spectrum of Pinolenic acid with the InChIkey HXQHFNIKBKZGRP-URPRIDOGSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6-,10-9-,14-13-
SMILES C(C(C(C(C(/C(=C(\C(/C(=C(\C(C(/C(=C(\C(C(C(C(=O)O[H])([H])[H])([H])[H])([H])[H])/[H])/[H])([H])[H])([H])[H])/[H])/[H])([H])[H])/[H])/[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])([H])[H]
InChI Key HXQHFNIKBKZGRP-URPRIDOGSA-N
Molecular Formula C18H30O2
Exact Mass 278.225 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-BS-BS004017
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:35:32.401480
MetadataModified 2024-01-11T12:35:32.577527
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60073819 NMRShiftDB
26988387 eMolecules
16733631 PubChem: Thomson Pharma
PD019867 ProbesDrugs
LMFA01030344 LipidMaps
DTXSID00895852 EPA CompTox Dashboard
208367 Brenda
MTBLC86136 Metabolights
ZINC000027646178 ZINC
B810C93MD7 FDA SRS
SCHEMBL1021463 SureChEMBL
86136 ChEBI
5312495 PubChem
The data in this table is sourced from UniChem at EBI.