Spectrum IA000010 for PGF2alpha-[d4]

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
Natural Product; Lipid Standard
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
PXGPLTODNUVGFL-YNNPMVKQSA-N
C20H34O5
354.24062418799997
O=C(O)CCCC=CCC1C(O)CC(O)C1C=CC(O)CCCCC

Mass Spectral Metadata

NameValue
IA000010
2018.11.21
Nils Hoffmann, Dominik Kopczynski, Bing Peng
CC BY-SA
Copyright (C) 2019, Leibniz Institut fuer Analytische Wissenschaften - ISAS - e.V., Dortmund, Germany
354.24062
Q-Exactive HF, Thermo Scientific [MS:1002523]
LC-ESI-QFT
MS2
ESI
HCD
20.0 NCE
30.0
negative
0.4773515476774845
0.20731114308430854
357.2588
[M-H]1-