| SpectraBase Spectrum ID |
6kGWLLL2mk4 |
| Name |
BMP 14:0_25:0 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Bismonoacylglycerophosphate |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
820.619336054 u |
| Formula |
C45H89O10P |
| InChI |
InChI=1S/C45H89O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-45(49)55-43(39-47)41-53-56(50,51)52-40-42(38-46)54-44(48)36-34-32-30-28-26-14-12-10-8-6-4-2/h42-43,46-47H,3-41H2,1-2H3,(H,50,51) |
| InChIKey |
AYLVJTFNTONDFV-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 |
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(O)(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
