Spectrum LipidBlast454193 for LPA 16:1

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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
LPA
C19H37O7P
408.227690154
O=C(OCC(O)COP(=O)(O)O)CCCCCCCC=CCCCCCC
InChI=1S/C19H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h7-8,18,20H,2-6,9-17H2,1H3,(H2,22,23,24)/b8-7-
GLGQZYWTNAOWHT-FPLPWBNLSA-N

Mass Spectral Metadata

NameValue
1.78 min
45 V
15 V
in-silico QTOF
SCIEX 5600
MS2
negative
Tobias Kind, Hiroshi Tsugawa
0.8611550724646566
0.7838571271660071
407.22041
[M-H]-
0.010200863973759113 ppm
-4.154000009748415E-6 Da