| SpectraBase Spectrum ID |
LtnDfrEqtF0 |
| Name |
LPG O-21:2 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Ether-linked lysophosphatidylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
536.347805657 u |
| Formula |
C27H53O8P |
| InChI |
InChI=1S/C27H53O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-33-23-27(30)25-35-36(31,32)34-24-26(29)22-28/h7-8,10-11,26-30H,2-6,9,12-25H2,1H3,(H,31,32)/b8-7-,11-10- |
| InChIKey |
CUJGBHTVKZHNFY-NQLNTKRDNA-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 |
CCCCCC\C=C/C\C=C/CCCCCCCCCCOCC(O)COP(O)(=O)OCC(O)CO |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
