SpectraBase Spectrum ID |
9S1VY14Gwlm |
Name |
LNAPS 6:0/N-2:0 |
Classification |
Glycerophosphoserines [GP03] |
Comments |
N-acyl-lysophosphatidylserine |
Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
399.129433029 u |
Formula |
C14H26NO10P |
InChI |
InChI=1S/C14H26NO10P/c1-3-4-5-6-13(18)23-7-11(17)8-24-26(21,22)25-9-12(14(19)20)15-10(2)16/h11-12,17H,3-9H2,1-2H3,(H,15,16)(H,19,20)(H,21,22) |
InChIKey |
UXGGPQSPKFZNGA-UHFFFAOYNA-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 |
CCCCCC(=O)OCC(O)COP(O)(=O)OCC(NC(C)=O)C(O)=O |
Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |