DG 18:5_40:8

SpectraBase Compound ID	FW1VyYCxFqe
InChI	InChI=1S/C61H94O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-56-61(64)66-59(57-62)58-65-60(63)55-53-51-49-47-45-43-41-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,27-28,30-31,33-34,41,45,47,51,53,59,62H,3-4,9-10,15-16,20,23,26,29,32,35-40,42-44,46,48-50,52,54-58H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,28-27-,31-30-,34-33-,41-18-,47-45-,53-51-
InChIKey	SZWGZYXKLBQJHD-WVDNCVLZNA-N Google Search
Mol Weight	907.4 g/mol
Molecular Formula	C61H94O5
Exact Mass	906.710126 g/mol

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SpectraBase Spectrum ID	BkuQHeOVnMc
Name	DG 18:5_40:8
Classification	Glycerolipids [GL]
Comments	Diacylglycerol
Copyright	Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	906.710126122 u
Formula	C61H94O5
InChI	InChI=1S/C61H94O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-56-61(64)66-59(57-62)58-65-60(63)55-53-51-49-47-45-43-41-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,27-28,30-31,33-34,41,45,47,51,53,59,62H,3-4,9-10,15-16,20,23,26,29,32,35-40,42-44,46,48-50,52,54-58H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,28-27-,31-30-,34-33-,41-18-,47-45-,53-51-
InChIKey	SZWGZYXKLBQJHD-WVDNCVLZNA-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	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
Sample Comments	theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES