Spectrum LipidBlast447360 for HBMP 52:6

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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
C58H101O11P
1004.708150682
O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCC)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCC)CO)CCCCCCCCCC=CCC=CCCCCC
InChI=1S/C58H101O11P/c1-4-7-10-13-16-19-22-25-26-27-28-31-32-35-38-41-44-47-56(60)65-51-55(69-58(62)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)53-67-70(63,64)66-52-54(50-59)68-57(61)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h11-12,14-16,19-21,23-26,54-55,59H,4-10,13,17-18,22,27-53H2,1-3H3,(H,63,64)/b14-11-,15-12-,19-16-,23-20-,24-21-,26-25-
AKTNLBMBBFPDHD-SNZSSVTDSA-N

Mass Spectral Metadata

NameValue
MS2
7.68 min
45 V
15 V
in-silico QTOF
SCIEX 5600
negative
Tobias Kind, Hiroshi Tsugawa
1.1321330794076991
0.7034338328065546
1003.70088
[M-H]-
0.005298391324518848 ppm
5.318000035003934E-6 Da