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Standard Detail: 1,2-Dierucoyl-sn-glycero-3-phosphoethanolamine

Chemical Information

Name 1,2-Dierucoyl-sn-glycero-3-phosphoethanolamine
Formula C49H94NO8P
Inventory ID 86
Exact mass 855.67171
Solubility Methanol/IPA
Inchi InChI=1S/C49H94NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,47H,3-16,21-46,50H2,1-2H3,(H,53,54)/b19-17+,20-18+/t47-/m1/s1

External reference numbers

ChEBI
lipidMAPS
CAS
Pubchem 71311796
Vendor Sigma
Vendor Catalogue Number 74576 S
[M-H]-
Scan Number 12812
Precursor m/z 854.66286
Retention time 21.81
Precursor Fraction 0.00
collision energy 30.0 electronvolt
[M-H]-
Scan Number 12909
Precursor m/z 854.66377
Retention time 21.98
Precursor Fraction 0.00
collision energy 30.0 electronvolt
[M+H]+
Scan Number 6162
Precursor m/z 856.68165
Retention time 16.86
Precursor Fraction 0.00
collision energy 60.0 electronvolt
[M+H]+
Scan Number 6192
Precursor m/z 856.68232
Retention time 16.93
Precursor Fraction 0.00
collision energy 60.0 electronvolt
[M-H]-
Scan Number 11294
Precursor m/z 854.66586
Retention time 20.13
Precursor Fraction 0.00
collision energy 40.0 electronvolt
[M-H]-
Scan Number 11300
Precursor m/z 854.66605
Retention time 20.14
Precursor Fraction 0.00
collision energy 40.0 electronvolt
[M-H]-
Scan Number 11378
Precursor m/z 854.66590
Retention time 20.28
Precursor Fraction 0.00
collision energy 40.0 electronvolt