For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
AHexCer (O-16:3)16:1;2O/22:1;O
SpectraBase Compound ID JIZ0HZV5Z8y
InChI InChI=1S/C60H107NO10/c1-4-7-10-13-16-19-22-24-25-26-27-28-30-32-35-38-41-44-47-53(64)59(68)61-51(52(63)46-43-40-37-34-31-21-18-15-12-9-6-3)50-69-60-58(57(67)56(66)54(49-62)70-60)71-55(65)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h8,11,14,17,20,23-25,43,46,51-54,56-58,60,62-64,66-67H,4-7,9-10,12-13,15-16,18-19,21-22,26-42,44-45,47-50H2,1-3H3,(H,61,68)/b11-8+,17-14+,23-20-,25-24+,46-43?
InChIKey SXUNSZHRBZSWBN-BTBQIFLYNA-N
Mol Weight 1002.5 g/mol
Molecular Formula C60H107NO10
Exact Mass 1001.789499 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IurMrFZSXcx
Name AHexCer (O-16:3)16:1;2O/22:1;O
Classification Sphingolipids [SP]
Comments Acylhexosylceramide
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1001.789498639 u
Formula C60H107NO10
InChI InChI=1S/C60H107NO10/c1-4-7-10-13-16-19-22-24-25-26-27-28-30-32-35-38-41-44-47-53(64)59(68)61-51(52(63)46-43-40-37-34-31-21-18-15-12-9-6-3)50-69-60-58(57(67)56(66)54(49-62)70-60)71-55(65)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h8,11,14,17,20,23-25,43,46,51-54,56-58,60,62-64,66-67H,4-7,9-10,12-13,15-16,18-19,21-22,26-42,44-45,47-50H2,1-3H3,(H,61,68)/b11-8+,17-14+,23-20-,25-24+,46-43?
InChIKey SXUNSZHRBZSWBN-BTBQIFLYNA-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 CCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1OC(=O)CCCCCCC\C=C/C=C/C=C/CC)NC(=O)C(O)CCCCCCCCCC\C=C\CCCCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES