Processed databases
Atom-Mass pairs
Outputs for Indole-3-carboxyaldehyde; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
Database: Plant Science Center, RIKEN
Entry ID: PR100985
Synonyms: Indole-3-carboxyaldehyde, Indole-3-aldehyde, 3-Formylindole, 1H-indole-3-carbaldehyde, beta-Indolylaldehyde
Total mass: 145.1577
Formula: H7 C9 O1 N1
Experimental information
MS type: MS2
Instrument: UPLC Q-Tof Premier, Waters
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 144.3449,
Processing time: 0:00:00.752825
Results for the quried mass "115.0453"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C8O1 | 0.063 | 3 | 0 | C1,C2,C3,C4,C6,C7,C8,C9,O11 |
| C8O1 | 0.063 | 3 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,O11 |
| C8N1 | 0.086 | 5 | 0 | C1,C2,C3,C4,C5,C7,C8,C9,N10 |
| C7O1N1 | 0.044 | 1 | 0 | C3,C4,C5,C6,C7,C8,C9,N10,O11 |
| C7O1N1 | 0.044 | 1 | 0 | C2,C4,C5,C6,C7,C8,C9,N10,O11 |
| C7O1N1 | 0.044 | 1 | 0 | C1,C3,C5,C6,C7,C8,C9,N10,O11 |
| C7O1N1 | 0.044 | 1 | 0 | C1,C2,C4,C5,C6,C7,C9,N10,O11 |
| C7O1N1 | 0.044 | 1 | 0 | C1,C2,C3,C5,C6,C7,C8,N10,O11 |