| SpectraBase Spectrum ID |
18iDcauG7UL |
| Name |
LPC O-20:2 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Ether-linked lysophosphatidylcholine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
533.384525519 u |
| Formula |
C28H56NO6P |
| InChI |
InChI=1S/C28H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-33-26-28(30)27-35-36(31,32)34-25-23-29(2,3)4/h9-10,12-13,28,30H,5-8,11,14-27H2,1-4H3/b10-9-,13-12- |
| InChIKey |
ZYUSQIZOBGSNEP-UTJQPWESNA-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+CH3COO]- |
| SMILES |
CCCCC\C=C/C\C=C/CCCCCCCCCCOCC(O)COP([O-])(=O)OCC[N+](C)(C)C |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
