| SpectraBase Spectrum ID |
ITb9NTcueWc |
| Name |
Ac2PIM2 18:0(methyl)_18:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Diacylated phosphatidylinositol dimannoside |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1202.694076680 u |
| Formula |
C58H107O23P |
| InChI |
InChI=1S/C58H107O23P/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-25-29-33-43(61)74-37-40(76-44(62)34-30-26-22-21-24-28-32-39(3)31-27-23-11-9-7-5-2)38-75-82(72,73)81-56-54(79-57-52(70)47(65)45(63)41(35-59)77-57)50(68)49(67)51(69)55(56)80-58-53(71)48(66)46(64)42(36-60)78-58/h13-14,39-42,45-60,63-71H,4-12,15-38H2,1-3H3,(H,72,73)/b14-13- |
| InChIKey |
VTOCPRXLSUAQPA-YPKPFQOOSA-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(O)C(OC3OC(CO)C(O)C(O)C3O)C2OP(O)(=O)OCC%10C%11)C(O)C(O)C1O.CCCCCCCCC(C)CCCCCCCCC(=O)O%10.CCCCCC\C=C/CCCCCCCCCC(=O)O%11 |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
