| SpectraBase Spectrum ID |
5yi7o6DEzbe |
| Name |
HBMP 14:0_14:0_18:5 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Hemibismonoacylglycerophosphate |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
922.629900737 u |
| Formula |
C52H91O11P |
| InChI |
InChI=1S/C52H91O11P/c1-4-7-10-13-16-19-22-23-24-25-28-29-32-35-38-41-50(54)59-45-49(63-52(56)43-40-37-34-31-27-21-18-15-12-9-6-3)47-61-64(57,58)60-46-48(44-53)62-51(55)42-39-36-33-30-26-20-17-14-11-8-5-2/h7,10,16,19,23-24,28-29,35,38,48-49,53H,4-6,8-9,11-15,17-18,20-22,25-27,30-34,36-37,39-47H2,1-3H3,(H,57,58)/b10-7-,19-16-,24-23-,29-28-,38-35- |
| InChIKey |
JPPHAPNUPBWQLN-YDUKULQZNA-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 |
CCCCCCCCCCCCCC(=O)OC(CO)COP(O)(=O)OCC(COC(=O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
