| SpectraBase Spectrum ID |
IPc9UXMEUbR |
| Name |
PG 4:0_20:2 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Phosphatidylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
606.353284959 u |
| Formula |
C30H55O10P |
| InChI |
InChI=1S/C30H55O10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30(34)40-28(25-37-29(33)21-4-2)26-39-41(35,36)38-24-27(32)23-31/h8-9,11-12,27-28,31-32H,3-7,10,13-26H2,1-2H3,(H,35,36)/b9-8-,12-11- |
| InChIKey |
JAKZDWZUKDVTMO-MURFETPANA-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\C=C/C\C=C/CCCCCCCCCC(=O)OC(COC(=O)CCC)COP(O)(=O)OCC(O)CO |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
