| SpectraBase Spectrum ID |
B3LVAXDpvDB |
| Name |
HBMP 12:0_22:0_18:0 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Hemibismonoacylglycerophosphate |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1016.802051446 u |
| Formula |
C58H113O11P |
| InChI |
InChI=1S/C58H113O11P/c1-4-7-10-13-16-19-21-23-25-26-27-28-30-32-34-37-40-43-46-49-58(62)69-55(51-65-56(60)47-44-41-38-36-33-31-29-24-22-20-17-14-11-8-5-2)53-67-70(63,64)66-52-54(50-59)68-57(61)48-45-42-39-35-18-15-12-9-6-3/h54-55,59H,4-53H2,1-3H3,(H,63,64) |
| InChIKey |
XUKULIZYGANHMD-UHFFFAOYNA-N |
| Ion Polarity |
N |
| 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-H]- |
| SMILES |
CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OCC(CO)OC(=O)CCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
