Spectrum LipidBlast450901 for HBMP 62:8

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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
HBMP
C68H117O11P
1140.833351194
O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)CO)CCCCCCCCCCCCCCCCCCCCC
InChI=1S/C68H117O11P/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-66(70)75-61-65(79-68(72)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2)63-77-80(73,74)76-62-64(60-69)78-67(71)58-55-52-49-46-43-40-36-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,26-27,29,33,35-36,41,44,64-65,69H,4-7,10,13-16,19,22-25,28,30-32,34,37-40,42-43,45-63H2,1-3H3,(H,73,74)/b11-8-,12-9-,20-17-,21-18-,29-26-,35-33-,36-27-,44-41-
RZVZYHGSHFSHGK-FCDQWCGYSA-N

Mass Spectral Metadata

NameValue
10.16 min
45 V
15 V
in-silico QTOF
SCIEX 5600
MS2
negative
Tobias Kind, Hiroshi Tsugawa
1.3850673908815763
0.7730208293406179
1139.82608
[M-H]-
0.004216432831864753 ppm
4.806000106327701E-6 Da