| SpectraBase Spectrum ID |
vZosFd4rWG |
| Name |
MGDG O-18:5_27:0 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked monogalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
888.705434662 u |
| Formula |
C54H96O9 |
| InChI |
InChI=1S/C54H96O9/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-50(56)62-48(47-61-54-53(59)52(58)51(57)49(45-55)63-54)46-60-44-42-40-38-36-34-32-30-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,32,34,38,40,48-49,51-55,57-59H,3-5,7,9-11,13,15-17,19,21-31,33,35-37,39,41-47H2,1-2H3/b8-6-,14-12-,20-18-,34-32-,40-38- |
| InChIKey |
XSRFQHBGNOVAJW-AEKQRTBINA-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+Na]+ |
| SMILES |
CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC1OC(CO)C(O)C(O)C1O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
