| SpectraBase Compound ID | 1vt8hcBDHzH |
|---|---|
| InChI | InChI=1S/C35H59NO6/c1-5-6-7-8-9-10-11-33(41)42-25-18-19-34(3)24(20-25)13-14-26-28-16-15-27(35(28,4)30(37)21-29(26)34)23(2)12-17-31(38)36-22-32(39)40/h23-30,37H,5-22H2,1-4H3,(H,36,38)(H,39,40) |
| InChIKey | HSBFYFDCFJWGBI-UHFFFAOYNA-N |
| Mol Weight | 589.9 g/mol |
| Molecular Formula | C35H59NO6 |
| Exact Mass | 589.434239 g/mol |
Mass Spectrum (LC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 36D5dHeX95P |
|---|---|
| Name | ST 24:1;O4;G/9:0 |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 589.434238618 u |
| Formula | C35H59NO6 |
| InChI | InChI=1S/C35H59NO6/c1-5-6-7-8-9-10-11-33(41)42-25-18-19-34(3)24(20-25)13-14-26-28-16-15-27(35(28,4)30(37)21-29(26)34)23(2)12-17-31(38)36-22-32(39)40/h23-30,37H,5-22H2,1-4H3,(H,36,38)(H,39,40) |
| InChIKey | HSBFYFDCFJWGBI-UHFFFAOYNA-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 | CCCCCCCCC(=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 |