| SpectraBase Spectrum ID |
D2xPsIsvW1s |
| Name |
BMP 22:0_27:0 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Bismonoacylglycerophosphate |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
960.775836698 u |
| Formula |
C55H109O10P |
| InChI |
InChI=1S/C55H109O10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-29-31-33-35-37-39-41-43-45-47-55(59)65-53(49-57)51-63-66(60,61)62-50-52(48-56)64-54(58)46-44-42-40-38-36-34-32-30-28-22-20-18-16-14-12-10-8-6-4-2/h52-53,56-57H,3-51H2,1-2H3,(H,60,61) |
| InChIKey |
ROWCLEVPWVRVKU-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)CCCCCCCCCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
