| SpectraBase Spectrum ID |
DfMjF2y2gb |
| Name |
Ac2PIM2 17:1_16:0 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Diacylated phosphatidylinositol dimannoside |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1146.631476423 u |
| Formula |
C54H99O23P |
| InChI |
InChI=1S/C54H99O23P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-40(58)72-36(34-70-39(57)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-71-78(68,69)77-52-50(75-53-48(66)43(61)41(59)37(32-55)73-53)46(64)45(63)47(65)51(52)76-54-49(67)44(62)42(60)38(33-56)74-54/h19,21,36-38,41-56,59-67H,3-18,20,22-35H2,1-2H3,(H,68,69)/b21-19- |
| InChIKey |
IDBAQHUXPXTMEX-VZCXRCSSSA-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=C/CCCCCC(=O)O%10.CCCCCCCCCCCCCCCC(=O)O%11 |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
