| SpectraBase Spectrum ID |
IPRJhmUZxMu |
| Name |
Ac2PIM2 17:0_18:2 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Diacylated phosphatidylinositol dimannoside |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1172.647126487 u |
| Formula |
C56H101O23P |
| InChI |
InChI=1S/C56H101O23P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-41(59)72-36-38(74-42(60)33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2)37-73-80(70,71)79-54-52(77-55-50(68)45(63)43(61)39(34-57)75-55)48(66)47(65)49(67)53(54)78-56-51(69)46(64)44(62)40(35-58)76-56/h26,28,30,32,38-40,43-58,61-69H,3-25,27,29,31,33-37H2,1-2H3,(H,70,71)/b28-26+,32-30+ |
| InChIKey |
HBDLJIVZBOAYPR-BJYBBYATSA-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.CCCCCCCCCCCCCCCCC(=O)O%10.CCCCCCCCCCCCC\C=C\C=C\C(=O)O%11 |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
