| SpectraBase Spectrum ID |
3FqazPn4GTy |
| Name |
Ac4PIM2 18:0(methyl)_16:1_19:0_18:0 |
| 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/c1-6-10-14-18-22-25-28-31-33-35-37-40-43-46-53-59-65-77(96)110-71-75-81(100)83(102)87(106)93(114-75)117-90-88(115-79(98)67-61-54-47-44-41-38-34-32-29-26-23-19-15-11-7-2)84(103)85(104)89(116-92-86(105)82(101)80(99)74(68-94)113-92)91(90)118-119(107,108)111-70-73(69-109-76(95)64-58-52-45-42-39-36-30-27-24-20-16-12-8-3)112-78(97)66-60-55-49-48-51-57-63-72(5)62-56-50-21-17-13-9-4/h36,39,72-75,80-94,99-106H,6-35,37-38,40-71H2,1-5H3,(H,107,108)/b39-36- |
| InChIKey |
RGPKENBNCBDPII-HYLXNHFUSA-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.CCCCCCCCC(C)CCCCCCCCC(=O)O%10.CCCCCCCC\C=C/CCCCCC(=O)O%11.CCCCCCCCCCCCCCCCCCC(=O)O%12.CCCCCCCCCCCCCCCCCC(=O)O%13 |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
