Processed databases
Atom-Mass pairs
Outputs for 3-Indoleacetonitrile; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
Database: Plant Science Center, RIKEN
Entry ID: PR100050
Synonyms: 3-Indolylacetonitrile, Indole-3-acetonitrile, 3-(Cyanomethyl)indole, 3-Indoleacetonitrile
Total mass: 156.1836
Formula: H8 C10 N2
Experimental information
MS type: MS2
Instrument: UPLC Q-Tof Premier, Waters
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 78.0451, 90.0473, 103.0527, 129.0557, 156.0687,
Processing time: 0:00:01.840804
Results for the quried mass "77.039"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5N1 | 0.045 | 3 | 0 | C3,C5,C6,C8,C9,N11 |
| C5N1 | 0.045 | 3 | 0 | C5,C6,C7,C8,C9,N11 |
| C5N1 | 0.045 | 3 | 0 | C1,C2,C4,C7,C10,N12 |
| C5N1 | 0.045 | 3 | 0 | C1,C2,C3,C4,C10,N12 |
| C4N2 | 0.025 | 1 | 0 | C5,C6,C7,C8,N11,N12 |
| C6 | 0.065 | 5 | 1 | C1,C2,C3,C4,C9,C10 |