| Names | |
| Classes | |
| SMILES | |
| InChI | |
| SPLASH | splash10-00dl-0590000000-5a996375733a464d7a25 |
C16H13N
219.10479942
| 92.0490 | 1552.0 | 12 |
| 115.0533 | 5268.0 | 43 |
| 116.0602 | 868.0 | 7 |
| 128.0611 | 7056.0 | 57 |
| 142.0637 | 6060.0 | 49 |
| 143.0720 | 73840.0 | 606 |
| 144.0751 | 8180.0 | 67 |
| 149.0227 | 1828.0 | 15 |
| 178.0765 | 620.0 | 5 |
| 193.1012 | 744.0 | 6 |
| 202.0765 | 1204.0 | 9 |
| 203.0850 | 3360.0 | 27 |
| 204.0828 | 1592.0 | 13 |
| 205.0883 | 2000.0 | 16 |
| 217.0868 | 1024.0 | 8 |
| 218.0955 | 9200.0 | 75 |
| 219.1032 | 20668.0 | 169 |
| 220.1116 | 121656.0 | 999 |
| 221.1147 | 15856.0 | 130 |
| 222.1172 | 1512.0 | 12 |
| 92.049 | C6H6N+ | 1 | 92.0495 | -5.19 |
| 115.0533 | C9H7+ | 1 | 115.0542 | -8.09 |
| 116.0602 | C9H8+ | 1 | 116.0621 | -16.27 |
| 128.0611 | C10H8+ | 1 | 128.0621 | -7.18 |
| 142.0637 | C10H8N+ | 1 | 142.0651 | -10.31 |
| 143.072 | C10H9N+ | 1 | 143.073 | -6.72 |
| 144.0751 | C9[13]CH9N+ | 1 | 144.0769 | -11.84 |
| 149.0227 | C11H3N+ | 1 | 149.026 | -21.99 |
| 178.0765 | C14H10+ | 1 | 178.0777 | -6.69 |
| 193.1012 | C15H13+ | 1 | 193.1012 | 0.19 |
| 202.0765 | C16H10+ | 1 | 202.0777 | -5.94 |
| 203.085 | C16H11+ | 1 | 203.0855 | -2.66 |
| 204.0828 | C15H10N+ | 1 | 204.0808 | 9.72 |
| 205.0883 | C15H11N+ | 1 | 205.0886 | -1.4 |
| 217.0868 | C16H11N+ | 1 | 217.0886 | -8.18 |
| 218.0955 | C16H12N+ | 1 | 218.0964 | -4.07 |
| 219.1032 | C16H13N+ | 1 | 219.1043 | -4.71 |
| 220.1116 | C16H14N+ | 1 | 220.1121 | -2.31 |
| 221.1147 | C15[13]CH14N+ | 1 | 221.116 | -5.83 |
| 222.1172 | C14[13]C2H14N+ | 1 | 222.1193 | -9.81 |
| Instrument | Bruker maXis Impact |
| Instrument Type | LC-ESI-QTOF |
| MS Type | MS2 |
| Ion Mode | POSITIVE |
| Ionization | ESI |
| Fragmentation Mode | CID |
| Collision Energy | Ramp 18.7-28.1 eV |
| Resolution | 35000 |
| CAS | 90-30-2 |
| CHEBI | 34876 |
| KEGG | C14405 |
| PUBCHEM | CID:7013 |
| INCHIKEY | XQVWYOYUZDUNRW-UHFFFAOYSA-N |
| CHEMSPIDER | 6746 |
| COMPTOX | DTXSID2025892 |
| Authors | |
| Publication | |
| License | CC BY |
| Copyright | |
| Date (created) | 2019-04-08 00:00:00 +0000 +0000 |
| Date (modified) | 2019-04-08 00:00:00 +0000 +0000 |