| SpectraBase Spectrum ID |
Hqg4Kl6Kq6d |
| Name |
HBMP 22:5_22:5_16:3 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Hemibismonoacylglycerophosphate |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1102.723801124 u |
| Formula |
C66H103O11P |
| InChI |
InChI=1S/C66H103O11P/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-65(69)76-62(58-67)60-74-78(71,72)75-61-63(59-73-64(68)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)77-66(70)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,31-34,37-42,62-63,67H,4-6,13-15,22-24,29-30,35-36,43-61H2,1-3H3,(H,71,72)/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,27-25-,28-26-,33-31-,34-32-,40-37-,41-38-,42-39- |
| InChIKey |
NALWQJAIZMEALF-SVYRWDKKNA-N |
| Ion Polarity |
P |
| Literature Reference |
Tsugawa, H.; Ikeda, K.; Takahashi, M.; Satoh, A.; Mori, Y.; Uchino, H.; Okahashi, N.; Yamada, Y.; Tada, I.; Bonini, P.; Higashi, Y.; Okazaki, Y.; Zhou, Z.; Zhu, Z.-J.; Koelmel, J.; Cajka, T.; Fiehn, O.; Saito, K.; Arita, M.; Arita, M. A Lipidome Atlas in MS-DIAL 4. Nature Biotechnology 2020, 38 (10), 1159–1163. |
| Literature Reference DOI |
https://doi.org/10.1038/s41587-020-0531-2 |
| Precursor Ion |
[M+NH4]+ |
| SMILES |
CC\C=C/C\C=C/C\C=C/CCCCCC(=O)OCC(COP(O)(=O)OCC(CO)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
