| SpectraBase Spectrum ID |
9xRIzRnEp4r |
| Name |
PG O-10:0_15:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Ether-linked phosphatidylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
608.405320533 u |
| Formula |
C31H61O9P |
| InChI |
InChI=1S/C31H61O9P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-31(34)40-30(28-39-41(35,36)38-26-29(33)25-32)27-37-24-22-20-18-12-10-8-6-4-2/h11,13,29-30,32-33H,3-10,12,14-28H2,1-2H3,(H,35,36)/b13-11- |
| InChIKey |
QBBXICMJOWXRFK-QBFSEMIENA-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 |
CCCCCCCCCCOCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCC\C=C/CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
