| SpectraBase Spectrum ID |
3RQ5RWTg7fa |
| Name |
PG 10:0_13:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Phosphatidylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
594.353284959 u |
| Formula |
C29H55O10P |
| InChI |
InChI=1S/C29H55O10P/c1-3-5-7-9-11-12-13-15-17-19-21-29(33)39-27(25-38-40(34,35)37-23-26(31)22-30)24-36-28(32)20-18-16-14-10-8-6-4-2/h7,9,26-27,30-31H,3-6,8,10-25H2,1-2H3,(H,34,35)/b9-7- |
| InChIKey |
HNIXMHMFRSDOIX-CLFYSBASNA-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 |
CCCCCCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCC\C=C/CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
