| Names | |
| Classes | |
| SMILES | |
| InChI | |
| SPLASH | splash10-0aor-9000000000-82b01061c63cdc101231 |
C18H34O4
314.2457
| 53.0398 | 308.5 | 46 |
| 55.0546 | 6657.3 | 999 |
| 57.0348 | 255.7 | 38 |
| 57.0704 | 541.5 | 81 |
| 59.0495 | 569.4 | 85 |
| 65.0374 | 231.1 | 34 |
| 67.0545 | 2269.9 | 340 |
| 69.0700 | 2844.5 | 426 |
| 77.0388 | 912.8 | 136 |
| 79.0544 | 2370.7 | 355 |
| 81.0691 | 1256.2 | 188 |
| 83.0497 | 788.1 | 118 |
| 91.0542 | 673.2 | 101 |
| 93.0699 | 2108.7 | 316 |
| 95.0855 | 529.3 | 79 |
| 97.0648 | 457.8 | 68 |
| 105.0687 | 292.8 | 43 |
| 121.1016 | 265.0 | 39 |
| 131.0683 | 256.9 | 38 |
| 53.0398 | C4H5+ | 1 | 53.0386 | 23.71 |
| 55.0546 | C4H7+ | 1 | 55.0542 | 6.16 |
| 57.0348 | C3H5O+ | 1 | 57.0335 | 23.14 |
| 57.0704 | C4H9+ | 1 | 57.0699 | 9.8 |
| 59.0495 | C3H7O+ | 1 | 59.0491 | 6.62 |
| 65.0374 | C5H5+ | 1 | 65.0386 | -17.34 |
| 67.0545 | C5H7+ | 1 | 67.0542 | 4.42 |
| 69.07 | C5H9+ | 1 | 69.0699 | 2.4 |
| 77.0388 | C6H5+ | 1 | 77.0386 | 2.38 |
| 79.0544 | C6H7+ | 1 | 79.0542 | 1.81 |
| 81.0691 | C6H9+ | 1 | 81.0699 | -9.89 |
| 83.0497 | C5H7O+ | 1 | 83.0491 | 6.88 |
| 91.0542 | C7H7+ | 1 | 91.0542 | 0.03 |
| 93.0699 | C7H9+ | 1 | 93.0699 | 0.61 |
| 95.0855 | C7H11+ | 1 | 95.0855 | 0.09 |
| 97.0648 | C6H9O+ | 1 | 97.0648 | 0.09 |
| 105.0687 | C8H9+ | 1 | 105.0699 | -10.94 |
| 121.1016 | C9H13+ | 1 | 121.1012 | 3.18 |
| 131.0683 | C6H11O3+ | 1 | 131.0703 | -15.29 |
| Instrument | Agilent 6560 QTOF |
| Instrument Type | LC-ESI-QTOF |
| MS Type | MS2 |
| Ion Mode | POSITIVE |
| Ionization | ESI |
| Fragmentation Mode | CID |
| Collision Energy | 55 eV |
| Resolution | 7000 |
| Mass Range M/z | 53-1398 |
| CAS | 39393-66-3 |
| CHEBI | 165632 |
| KEGG | D03782 |
| PUBCHEM | CID:7986 |
| INCHIKEY | PYGXAGIECVVIOZ-UHFFFAOYSA-N |
| CHEMSPIDER | 13837584 |
| COMPTOX | DTXSID1041847 |
| Authors | |
| Publication | |
| License | CC BY |
| Copyright | |
| Date (created) | 2021-08-02 00:00:00 +0000 +0000 |
| Date (modified) | 2021-08-02 00:00:00 +0000 +0000 |