| SpectraBase Spectrum ID |
D1cGBV9AGYt |
| Name |
HBMP 20:0_20:0_16:4 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Hemibismonoacylglycerophosphate |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1064.802051446 u |
| Formula |
C62H113O11P |
| InChI |
InChI=1S/C62H113O11P/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-61(65)72-58(54-63)56-70-74(67,68)71-57-59(55-69-60(64)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)73-62(66)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h9,12,18,21,33,36,42,45,58-59,63H,4-8,10-11,13-17,19-20,22-32,34-35,37-41,43-44,46-57H2,1-3H3,(H,67,68)/b12-9-,21-18-,36-33-,45-42- |
| InChIKey |
BHDCPYXSXOQGLV-XBOQMPBRNA-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 |
CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(O)(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
