| SpectraBase Spectrum ID |
CNRQi4BCZlN |
| Name |
LPI 26:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Lysophosphatidylinositol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
710.437014583 u |
| Formula |
C35H67O12P |
| InChI |
InChI=1S/C35H67O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29(37)45-26-28(36)27-46-48(43,44)47-35-33(41)31(39)30(38)32(40)34(35)42/h11-12,28,30-36,38-42H,2-10,13-27H2,1H3,(H,43,44)/b12-11- |
| InChIKey |
HRTUBSHFODMYNJ-QXMHVHEDNA-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 |
CCCCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OC1C(O)C(O)C(O)C(O)C1O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
