| SpectraBase Spectrum ID |
8CZVHzkCTCj |
| Name |
HBMP 22:0_22:6_12:0 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Hemibismonoacylglycerophosphate |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1060.770751317 u |
| Formula |
C62H109O11P |
| InChI |
InChI=1S/C62H109O11P/c1-4-7-10-13-16-19-21-23-25-27-29-31-33-35-37-40-43-46-49-52-61(65)72-58(54-63)56-70-74(67,68)71-57-59(55-69-60(64)51-48-45-42-39-18-15-12-9-6-3)73-62(66)53-50-47-44-41-38-36-34-32-30-28-26-24-22-20-17-14-11-8-5-2/h8,11,17,20,24,26,30,32,36,38,44,47,58-59,63H,4-7,9-10,12-16,18-19,21-23,25,27-29,31,33-35,37,39-43,45-46,48-57H2,1-3H3,(H,67,68)/b11-8-,20-17-,26-24-,32-30-,38-36-,47-44- |
| InChIKey |
OFEZQRVYQVCFQC-UAAYVUQLNA-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 |
CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(O)(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CC\C=C/C\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 |
