| SpectraBase Spectrum ID |
C1olbvNdZln |
| Name |
Ac4PIM2 16:0_16:1_18:0(methyl)_19:0 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Tetraacylated phosphatidylinositol dimannoside |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1693.169057915 u |
| Formula |
C91H169O25P |
| InChI |
InChI=1S/C91H169O25P/c1-6-10-14-18-22-25-28-31-32-33-36-39-42-45-53-59-65-77(96)113-86-82(101)83(102)87(114-90-84(103)80(99)78(97)72(66-92)111-90)89(88(86)115-91-85(104)81(100)79(98)73(112-91)69-108-75(94)63-57-51-47-46-49-55-61-70(5)60-54-48-21-17-13-9-4)116-117(105,106)109-68-71(110-76(95)64-58-52-44-41-38-35-30-27-24-20-16-12-8-3)67-107-74(93)62-56-50-43-40-37-34-29-26-23-19-15-11-7-2/h34,37,70-73,78-92,97-104H,6-33,35-36,38-69H2,1-5H3,(H,105,106)/b37-34- |
| InChIKey |
LHGAOMJZRVCBNT-LLLYXHGFSA-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.CCCCCCCCCCCCCCCC(=O)O%10.CCCCCCCC\C=C/CCCCCC(=O)O%11.CCCCCCCCC(C)CCCCCCCCC(=O)O%12.CCCCCCCCCCCCCCCCCCC(=O)O%13 |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
