| SpectraBase Spectrum ID |
4KI2Z4n62p |
| Name |
LNAPS 19:2/N-16:2 |
| Classification |
Glycerophosphoserines [GP03] |
| Comments |
N-acyl-lysophosphatidylserine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
769.489384510 u |
| Formula |
C41H72NO10P |
| InChI |
InChI=1S/C41H72NO10P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-40(45)50-34-37(43)35-51-53(48,49)52-36-38(41(46)47)42-39(44)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h8,10,13-16,18-19,37-38,43H,3-7,9,11-12,17,20-36H2,1-2H3,(H,42,44)(H,46,47)(H,48,49)/b10-8-,15-13-,16-14-,19-18- |
| InChIKey |
HDKHVOUVCZHXBV-GBDALJMJNA-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\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(NC(=O)CCCCCCC\C=C/C\C=C/CCC)C(O)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
