| SpectraBase Spectrum ID |
3a5fefvv8p4 |
| Name |
PG 6:0_22:6 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Phosphatidylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
654.353284959 u |
| Formula |
C34H55O10P |
| InChI |
InChI=1S/C34H55O10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-34(38)44-32(29-41-33(37)25-23-6-4-2)30-43-45(39,40)42-28-31(36)27-35/h5,7,9-10,12-13,15-16,18-19,21-22,31-32,35-36H,3-4,6,8,11,14,17,20,23-30H2,1-2H3,(H,39,40)/b7-5-,10-9-,13-12-,16-15-,19-18-,22-21- |
| InChIKey |
OQIHRYHRMRDAMC-NZSKKQKANA-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 |
CCCCCC(=O)OCC(COP(O)(=O)OCC(O)CO)OC(=O)CC\C=C/C\C=C/C\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 |
