| SpectraBase Spectrum ID |
FegrpzNOyfW |
| Name |
PG 4:0_18:4 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Phosphatidylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
574.290684701 u |
| Formula |
C28H47O10P |
| InChI |
InChI=1S/C28H47O10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-28(32)38-26(23-35-27(31)19-4-2)24-37-39(33,34)36-22-25(30)21-29/h5-6,8-9,11-12,14-15,25-26,29-30H,3-4,7,10,13,16-24H2,1-2H3,(H,33,34)/b6-5-,9-8-,12-11-,15-14- |
| InChIKey |
JYMDBEBOKYMMBR-AFSLFLIVNA-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 |
CCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
