| SpectraBase Spectrum ID |
8XCbUqzlOCb |
| Name |
PG O-26:2_16:0 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Ether-linked phosphatidylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
844.655721564 u |
| Formula |
C48H93O9P |
| InChI |
InChI=1S/C48H93O9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-54-44-47(45-56-58(52,53)55-43-46(50)42-49)57-48(51)40-38-36-34-32-30-28-16-14-12-10-8-6-4-2/h15,17,19-20,46-47,49-50H,3-14,16,18,21-45H2,1-2H3,(H,52,53)/b17-15-,20-19- |
| InChIKey |
OWYWRVRDYDRZIB-YVCOGYDTNA-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 |
CCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCC)COP(O)(=O)OCC(O)CO |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
