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ST 24:1;O4;G/20:5

View entire compound with spectra: 2 MS (LC)

ST 24:1;O4;G/20:5
SpectraBase Compound ID LExBzi8ejHk
InChI InChI=1S/C46H71NO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-44(52)53-36-29-30-45(3)35(31-36)24-25-37-39-27-26-38(46(39,4)41(48)32-40(37)45)34(2)23-28-42(49)47-33-43(50)51/h6-7,9-10,12-13,15-16,18-19,34-41,48H,5,8,11,14,17,20-33H2,1-4H3,(H,47,49)(H,50,51)/b7-6-,10-9-,13-12-,16-15-,19-18-
InChIKey YOIHYPSKTUEXCF-WMPRHZDHNA-N
Mol Weight 734.1 g/mol
Molecular Formula C46H71NO6
Exact Mass 733.528139 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID FFV7y26iBpu
Name ST 24:1;O4;G/20:5
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 733.528139004 u
Formula C46H71NO6
InChI InChI=1S/C46H71NO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-44(52)53-36-29-30-45(3)35(31-36)24-25-37-39-27-26-38(46(39,4)41(48)32-40(37)45)34(2)23-28-42(49)47-33-43(50)51/h6-7,9-10,12-13,15-16,18-19,34-41,48H,5,8,11,14,17,20-33H2,1-4H3,(H,47,49)(H,50,51)/b7-6-,10-9-,13-12-,16-15-,19-18-
InChIKey YOIHYPSKTUEXCF-WMPRHZDHNA-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/CCCC(=O)OC1CCC2(C)C(CCC3C4CCC(C(C)CCC(=O)NCC(O)=O)C4(C)C(O)CC23)C1
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES