| SpectraBase Spectrum ID |
JdqcRIt9yFT |
| Name |
Ac2PIM2 20:0_18:2 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Diacylated phosphatidylinositol dimannoside |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1214.694076680 u |
| Formula |
C59H107O23P |
| InChI |
InChI=1S/C59H107O23P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-45(63)77-41(39-75-44(62)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-76-83(73,74)82-57-55(80-58-53(71)48(66)46(64)42(37-60)78-58)51(69)50(68)52(70)56(57)81-59-54(72)49(67)47(65)43(38-61)79-59/h29,31,33,35,41-43,46-61,64-72H,3-28,30,32,34,36-40H2,1-2H3,(H,73,74)/b31-29+,35-33+ |
| InChIKey |
FHWLGNMUQVLGHN-OISWOCQOSA-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.CCCCCCCCCCCCCCCCCCCC(=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 |
