Cer 19:0;2O/18:4;(3OH)(FA 19:5)

SpectraBase Compound ID	EbElXNA2rFw
InChI	InChI=1S/C56H93NO5/c1-4-7-10-13-16-19-22-25-27-28-31-34-37-40-43-46-49-56(61)62-52(47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)50-55(60)57-53(51-58)54(59)48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,15-16,18-19,21,24-25,27,29,31-32,34,40,43,52-54,58-59H,4-6,8,11,13-14,17,20,22-23,26,28,30,33,35-39,41-42,44-51H2,1-3H3,(H,57,60)/b10-7+,12-9+,18-15+,19-16+,24-21+,27-25+,32-29-,34-31+,43-40+
InChIKey	VGADGNVZGVIJST-YNOQMWNMNA-N Google Search
Mol Weight	860.4 g/mol
Molecular Formula	C56H93NO5
Exact Mass	859.705375 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	4GbhlUW0kYl
Name	Cer 19:0;2O/18:4;(3OH)(FA 19:5)
Classification	Sphingolipids [SP]
Comments	Ceramide Esterified beta-hydroxy fatty acid-dihydrosphingosine
Copyright	Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	859.705375094 u
Formula	C56H93NO5
InChI	InChI=1S/C56H93NO5/c1-4-7-10-13-16-19-22-25-27-28-31-34-37-40-43-46-49-56(61)62-52(47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)50-55(60)57-53(51-58)54(59)48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,9-10,12,15-16,18-19,21,24-25,27,29,31-32,34,40,43,52-54,58-59H,4-6,8,11,13-14,17,20,22-23,26,28,30,33,35-39,41-42,44-51H2,1-3H3,(H,57,60)/b10-7+,12-9+,18-15+,19-16+,24-21+,27-25+,32-29-,34-31+,43-40+
InChIKey	VGADGNVZGVIJST-YNOQMWNMNA-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+CH3COO]-
SMILES	CCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CC(CCCCC\C=C/C=C/C=C/C=C/CC)OC(=O)CC\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