| SpectraBase Spectrum ID |
Cvv9leQKg4y |
| Name |
NAGlySer 14:1/24:1 |
| Classification |
Fatty acyls [FA] |
| Comments |
N-acyl glycyl serine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
734.580902853 u |
| Formula |
C43H78N2O7 |
| InChI |
InChI=1S/C43H78N2O7/c1-3-5-7-9-11-13-15-16-18-19-21-24-28-32-38(52-42(49)35-31-27-22-20-17-14-12-10-8-6-4-2)33-29-25-23-26-30-34-40(47)44-36-41(48)45-39(37-46)43(50)51/h10,12,19,21,38-39,46H,3-9,11,13-18,20,22-37H2,1-2H3,(H,44,47)(H,45,48)(H,50,51)/b12-10-,21-19- |
| InChIKey |
LTNYBTVEXKXMPK-RCXAPPODNA-N |
| Ion Polarity |
P |
| 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+NH4]+ |
| SMILES |
CCCCCCCCCC\C=C/CCCC(CCCCCCCC(=O)NCC(=O)NC(CO)C(O)=O)OC(=O)CCCCCCC\C=C/CCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
