| SpectraBase Spectrum ID |
1ZGmNejX5uf |
| Name |
HBMP 12:0_12:0_22:6 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Hemibismonoacylglycerophosphate |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
920.614250673 u |
| Formula |
C52H89O11P |
| InChI |
InChI=1S/C52H89O11P/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-27-28-31-32-35-38-41-50(54)59-45-49(63-52(56)43-40-37-34-30-18-15-12-9-6-3)47-61-64(57,58)60-46-48(44-53)62-51(55)42-39-36-33-29-17-14-11-8-5-2/h7,10,16,19,21-22,24-25,27-28,32,35,48-49,53H,4-6,8-9,11-15,17-18,20,23,26,29-31,33-34,36-47H2,1-3H3,(H,57,58)/b10-7-,19-16-,22-21-,25-24-,28-27-,35-32- |
| InChIKey |
NCWZGNHAHAWVAS-SUTNPNSNNA-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 |
CCCCCCCCCCCC(=O)OC(CO)COP(O)(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
