NAGlySer 26:7/14:1

SpectraBase Compound ID	GcszjzXQiEL
InChI	InChI=1S/C45H70N2O7/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-33-37-44(51)54-40(34-30-8-6-4-2)35-31-28-29-32-36-42(49)46-38-43(50)47-41(39-48)45(52)53/h5,7,10-11,13-14,16-17,19-20,22-23,25-26,30,34,40-41,48H,3-4,6,8-9,12,15,18,21,24,27-29,31-33,35-39H2,1-2H3,(H,46,49)(H,47,50)(H,52,53)/b7-5-,11-10-,14-13-,17-16-,20-19-,23-22-,26-25-,34-30-
InChIKey	MXWVWVVJKWHRON-JEEBELFHNA-N Google Search
Mol Weight	751.1 g/mol
Molecular Formula	C45H70N2O7
Exact Mass	750.518303 g/mol

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SpectraBase Spectrum ID	CxYSejMBb3D
Name	NAGlySer 26:7/14:1
Classification	Fatty acyls [FA]
Comments	N-acyl glycyl serine
Copyright	Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	750.518302595 u
Formula	C45H70N2O7
InChI	InChI=1S/C45H70N2O7/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-33-37-44(51)54-40(34-30-8-6-4-2)35-31-28-29-32-36-42(49)46-38-43(50)47-41(39-48)45(52)53/h5,7,10-11,13-14,16-17,19-20,22-23,25-26,30,34,40-41,48H,3-4,6,8-9,12,15,18,21,24,27-29,31-33,35-39H2,1-2H3,(H,46,49)(H,47,50)(H,52,53)/b7-5-,11-10-,14-13-,17-16-,20-19-,23-22-,26-25-,34-30-
InChIKey	MXWVWVVJKWHRON-JEEBELFHNA-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	CCCC\C=C/C(CCCCCCC(=O)NCC(=O)NC(CO)C(O)=O)OC(=O)CCC\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