| SpectraBase Spectrum ID |
ytNInCscV4 |
| Name |
NAGlySer 10:0/13:1 |
| Classification |
Fatty acyls [FA] |
| Comments |
N-acyl glycyl serine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
526.361801951 u |
| Formula |
C28H50N2O7 |
| InChI |
InChI=1S/C28H50N2O7/c1-3-5-7-8-9-10-16-20-27(34)37-23(17-13-6-4-2)18-14-11-12-15-19-25(32)29-21-26(33)30-24(22-31)28(35)36/h13,17,23-24,31H,3-12,14-16,18-22H2,1-2H3,(H,29,32)(H,30,33)(H,35,36)/b17-13- |
| InChIKey |
XYNLHGBRWANSNS-LGMDPLHJNA-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(=O)OC(CCCCCCC(=O)NCC(=O)NC(CO)C(O)=O)\C=C/CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
