| SpectraBase Spectrum ID |
9vNZOgxGTq6 |
| Name |
Ac4PIM2 16:1_18:0(methyl)_18:0_18:0(methyl) |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Tetraacylated phosphatidylinositol dimannoside |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1721.200358044 u |
| Formula |
C93H173O25P |
| InChI |
InChI=1S/C93H173O25P/c1-7-11-15-19-23-25-27-29-30-32-33-35-37-47-56-64-77(96)110-70-75-81(100)83(102)87(106)93(114-75)117-90-88(115-79(98)66-58-50-42-40-46-54-62-72(6)60-52-44-22-18-14-10-4)84(103)85(104)89(116-92-86(105)82(101)80(99)74(67-94)113-92)91(90)118-119(107,108)111-69-73(112-78(97)65-57-49-38-36-34-31-28-26-24-20-16-12-8-2)68-109-76(95)63-55-48-41-39-45-53-61-71(5)59-51-43-21-17-13-9-3/h31,34,71-75,80-94,99-106H,7-30,32-33,35-70H2,1-6H3,(H,107,108)/b34-31- |
| InChIKey |
VDBBEBBMEKDDJJ-NMSHJFGGSA-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.CCCCCCCCC(C)CCCCCCCCC(=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 |
