Processed databases
Atom-Mass pairs
Outputs for 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001207
Synonyms: 3-Indoleacetonitrile, (Indole-3-yl)acetonitrile, Indole-3-acetonitrile, Indol-3-ylacetonitrile
Total mass: 156.1836
Formula: H8 C10 N2
Experimental information
MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 96.9, 111.1,
Processing time: 0:00:02.250219
Results for the quried mass "79.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5N1 | 0.100 | 5 | 2 | C3,C5,C6,C8,C9,N11 |
| C5N1 | 0.100 | 5 | 2 | C5,C6,C7,C8,C9,N11 |
| C5N1 | 0.100 | 5 | 0 | C1,C2,C4,C7,C10,N12 |
| C5N1 | 0.100 | 5 | 0 | C1,C2,C3,C4,C10,N12 |
| C4N2 | 0.080 | 3 | 0 | C5,C6,C7,C8,N11,N12 |