Cer 9:0;2O/38:10

SpectraBase Compound ID	6Gzg6wjHrmD
InChI	InChI=1S/C47H75NO3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-47(51)48-45(44-49)46(50)42-40-8-6-4-2/h5,7,10-11,13-14,16-17,19-20,22-23,25-26,28-29,31-32,34-35,45-46,49-50H,3-4,6,8-9,12,15,18,21,24,27,30,33,36-44H2,1-2H3,(H,48,51)/b7-5-,11-10-,14-13-,17-16-,20-19-,23-22-,26-25-,29-28-,32-31-,35-34-
InChIKey	OCBPGTYAFXTMKM-SDPWFAGQNA-N Google Search
Mol Weight	702.1 g/mol
Molecular Formula	C47H75NO3
Exact Mass	701.574695 g/mol

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SpectraBase Spectrum ID	JweeFwvnZF5
Name	Cer 9:0;2O/38:10
Classification	Sphingolipids [SP]
Comments	Ceramide non-hydroxyfatty acid-dihydrosphingosine
Copyright	Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	701.574695276 u
Formula	C47H75NO3
InChI	InChI=1S/C47H75NO3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-47(51)48-45(44-49)46(50)42-40-8-6-4-2/h5,7,10-11,13-14,16-17,19-20,22-23,25-26,28-29,31-32,34-35,45-46,49-50H,3-4,6,8-9,12,15,18,21,24,27,30,33,36-44H2,1-2H3,(H,48,51)/b7-5-,11-10-,14-13-,17-16-,20-19-,23-22-,26-25-,29-28-,32-31-,35-34-
InChIKey	OCBPGTYAFXTMKM-SDPWFAGQNA-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+HCOO]-
SMILES	CCCCCCC(O)C(CO)NC(=O)CCCCCC\C=C/C\C=C/C\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