| SpectraBase Spectrum ID |
69E6U4Kqbey |
| Name |
BMP 13:0_27:0 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Bismonoacylglycerophosphate |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
834.634986118 u |
| Formula |
C46H91O10P |
| InChI |
InChI=1S/C46H91O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-46(50)56-44(40-48)42-54-57(51,52)53-41-43(39-47)55-45(49)37-35-33-31-29-14-12-10-8-6-4-2/h43-44,47-48H,3-42H2,1-2H3,(H,51,52) |
| InChIKey |
IISQOLPGNIMMFW-UHFFFAOYNA-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 |
CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(O)(=O)OCC(CO)OC(=O)CCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
