DG 32:3_30:8

SpectraBase Compound ID	7sYV6iVxx24
InChI	InChI=1S/C65H106O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-34-35-37-39-41-43-45-47-49-51-53-55-57-59-64(67)69-62-63(61-66)70-65(68)60-58-56-54-52-50-48-46-44-42-40-38-36-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14-15,17-18,20-21,23-24,26-27,29-30,33,38,40,44,46,50,52,63,66H,3-5,7,9-11,13,16,19,22,25,28,31-32,34-37,39,41-43,45,47-49,51,53-62H2,1-2H3/b8-6-,14-12-,17-15-,20-18-,23-21-,26-24-,29-27-,33-30-,40-38-,46-44-,52-50-
InChIKey	BBCZWEGNYMMAHU-AHFJBZNNNA-N Google Search
Mol Weight	967.6 g/mol
Molecular Formula	C65H106O5
Exact Mass	966.804027 g/mol

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SpectraBase Spectrum ID	3VYDTc9AL5v
Name	DG 32:3_30:8
Classification	Glycerolipids [GL]
Comments	Diacylglycerol
Copyright	Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	966.804026508 u
Formula	C65H106O5
InChI	InChI=1S/C65H106O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-34-35-37-39-41-43-45-47-49-51-53-55-57-59-64(67)69-62-63(61-66)70-65(68)60-58-56-54-52-50-48-46-44-42-40-38-36-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14-15,17-18,20-21,23-24,26-27,29-30,33,38,40,44,46,50,52,63,66H,3-5,7,9-11,13,16,19,22,25,28,31-32,34-37,39,41-43,45,47-49,51,53-62H2,1-2H3/b8-6-,14-12-,17-15-,20-18-,23-21-,26-24-,29-27-,33-30-,40-38-,46-44-,52-50-
InChIKey	BBCZWEGNYMMAHU-AHFJBZNNNA-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	CCCCCCC\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCC\C=C/C\C=C/C\C=C/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