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
DTXSID00895852 EPA CompTox Dashboard
208367 Brenda
MTBLC86136 Metabolights
ZINC000027646178 ZINC
LMFA01030344 LipidMaps
60073819 NMRShiftDB
26988387 eMolecules
16733631 PubChem: Thomson Pharma
PD019867 ProbesDrugs
B810C93MD7 FDA SRS
SCHEMBL1021463 SureChEMBL
86136 ChEBI
5312495 PubChem
The data in this table is sourced from UniChem at EBI.