| SpectraBase Spectrum ID |
GlU7iBwm876 |
| Name |
NAGlySer 24:3/17:1 |
| Classification |
Fatty acyls [FA] |
| Comments |
N-acyl glycyl serine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
772.596552917 u |
| Formula |
C46H80N2O7 |
| InChI |
InChI=1S/C46H80N2O7/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-34-38-45(52)55-41(35-31-27-25-10-8-6-4-2)36-32-29-30-33-37-43(50)47-39-44(51)48-42(40-49)46(53)54/h13-14,16-17,19-20,31,35,41-42,49H,3-12,15,18,21-30,32-34,36-40H2,1-2H3,(H,47,50)(H,48,51)(H,53,54)/b14-13-,17-16-,20-19-,35-31- |
| InChIKey |
MAOJIYRIEVRLJJ-FCFGMPEONA-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 |
CCCCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)OC(CCCCCCC(=O)NCC(=O)NC(CO)C(O)=O)\C=C/CCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
