Processed databases
Atom-Mass pairs
Outputs for Gramine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO002976
Synonyms: Gramine
Total mass: 174.2417
Formula: H14 C11 N2
Experimental information
MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 57.1, 70.4, 72.2, 83.4, 103.1, 106.0,
Processing time: 0:00:02.760204
Results for the quried mass "83.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5N1 | 0.131 | 9 | 0 | C1,C2,C7,C8,C9,N13 |
| C5N1 | 0.131 | 9 | 1 | C1,C2,C8,C9,C10,N13 |
| C7 | 0.067 | 1 | 0 | C3,C4,C6,C7,C9,C10,C11 |
| C7 | 0.067 | 1 | 0 | C3,C4,C6,C8,C9,C10,C11 |
| C7 | 0.067 | 1 | 0 | C3,C4,C5,C6,C9,C10,C11 |
| C7 | 0.067 | 1 | 0 | C3,C4,C5,C6,C7,C9,C10 |
| C7 | 0.067 | 1 | 0 | C3,C4,C5,C6,C8,C9,C10 |
| C7 | 0.067 | 1 | 0 | C3,C5,C6,C7,C9,C10,C11 |
| C7 | 0.067 | 1 | 0 | C3,C5,C6,C8,C9,C10,C11 |
| C7 | 0.067 | 1 | 0 | C3,C4,C5,C7,C8,C9,C10 |
| C7 | 0.067 | 1 | 0 | C3,C4,C5,C7,C9,C10,C11 |
| C7 | 0.067 | 1 | 0 | C3,C4,C5,C8,C9,C10,C11 |
| C7 | 0.067 | 1 | 0 | C4,C5,C6,C7,C9,C10,C11 |
| C7 | 0.067 | 1 | 0 | C4,C5,C6,C8,C9,C10,C11 |
| C7 | 0.067 | 1 | 0 | C4,C6,C7,C8,C9,C10,C11 |