| SpectraBase Spectrum ID |
Apaq03dmVH2 |
| Name |
ST 28:1;O;Hex;FA 26:1 |
| Classification |
Sterol Lipids [ST] |
| Comments |
Acylhexosyl campesterol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
938.793855746 u |
| Formula |
C60H106O7 |
| InChI |
InChI=1S/C60H106O7/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-54(61)65-43-53-55(62)56(63)57(64)58(67-53)66-48-38-40-59(6)47(42-48)34-35-49-51-37-36-50(60(51,7)41-39-52(49)59)46(5)33-32-45(4)44(2)3/h17-18,34,44-46,48-53,55-58,62-64H,8-16,19-33,35-43H2,1-7H3/b18-17- |
| InChIKey |
KCRMSASTYWQYLJ-ZCXUNETKNA-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 |
CCCCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5C4CC=C3C2)C(C)CCC(C)C(C)C)C(O)C(O)C1O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
