| SpectraBase Spectrum ID |
2YefVAlP7Mb |
| Name |
Ac4PIM2 16:1_18:1_18:0_18:0(methyl) |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Tetraacylated phosphatidylinositol dimannoside |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1705.169057915 u |
| Formula |
C92H169O25P |
| InChI |
InChI=1S/C92H169O25P/c1-6-10-14-18-22-25-28-31-33-36-38-41-44-51-57-63-75(94)108-68-72(111-77(96)65-59-53-46-43-40-35-30-27-24-20-16-12-8-3)69-110-118(106,107)117-90-88(115-91-85(104)81(100)79(98)73(67-93)112-91)84(103)83(102)87(114-78(97)66-60-54-48-47-50-56-62-71(5)61-55-49-21-17-13-9-4)89(90)116-92-86(105)82(101)80(99)74(113-92)70-109-76(95)64-58-52-45-42-39-37-34-32-29-26-23-19-15-11-7-2/h25,28,35,40,71-74,79-93,98-105H,6-24,26-27,29-34,36-39,41-70H2,1-5H3,(H,106,107)/b28-25-,40-35- |
| InChIKey |
XRALAKWJGQGERG-RICUCSNNSA-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-H]- |
| SMILES |
OCC1OC(OC2C(O)C(O)C%13C(OC3OC(C%12)C(O)C(O)C3O)C2OP(O)(=O)OCC%10C%11)C(O)C(O)C1O.CCCCCCCC\C=C/CCCCCC(=O)O%10.CCCCCC\C=C/CCCCCCCCCC(=O)O%11.CCCCCCCCCCCCCCCCCC(=O)O%12.CCCCCCCCC(C)CCCCCCCCC(=O)O%13 |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
