| SpectraBase Spectrum ID |
HGsSvIY2DJL |
| Name |
PG 5:0_16:2 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Phosphatidylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
564.306334766 u |
| Formula |
C27H49O10P |
| InChI |
InChI=1S/C27H49O10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-27(31)37-25(22-34-26(30)18-6-4-2)23-36-38(32,33)35-21-24(29)20-28/h7-8,10-11,24-25,28-29H,3-6,9,12-23H2,1-2H3,(H,32,33)/b8-7-,11-10- |
| InChIKey |
UDPDCRZGPQQEJY-NQLNTKRDNA-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 |
CCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCC\C=C/C\C=C/CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
