| SpectraBase Spectrum ID |
FEprxsiRzNG |
| Name |
ST 24:1;O4;G/17:2 |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
697.528139004 u |
| Formula |
C43H71NO6 |
| InChI |
InChI=1S/C43H71NO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-41(49)50-33-26-27-42(3)32(28-33)21-22-34-36-24-23-35(43(36,4)38(45)29-37(34)42)31(2)20-25-39(46)44-30-40(47)48/h8-9,11-12,31-38,45H,5-7,10,13-30H2,1-4H3,(H,44,46)(H,47,48)/b9-8-,12-11- |
| InChIKey |
XQSCDLJBSXMLRG-MURFETPANA-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 |
CCCC\C=C/C\C=C/CCCCCCCC(=O)OC1CCC2(C)C(CCC3C4CCC(C(C)CCC(=O)NCC(O)=O)C4(C)C(O)CC23)C1 |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
