| SpectraBase Spectrum ID |
7Gw9rSYNdhw |
| Name |
PG 2:0_13:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Phosphatidylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
482.228084444 u |
| Formula |
C21H39O10P |
| InChI |
InChI=1S/C21H39O10P/c1-3-4-5-6-7-8-9-10-11-12-13-21(25)31-20(16-28-18(2)23)17-30-32(26,27)29-15-19(24)14-22/h5-6,19-20,22,24H,3-4,7-17H2,1-2H3,(H,26,27)/b6-5- |
| InChIKey |
HKGVCKIAJVYNDG-WAYWQWQTNA-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 |
CCC\C=C/CCCCCCCC(=O)OC(COC(C)=O)COP(O)(=O)OCC(O)CO |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
