Processed databases
Atom-Mass pairs
Related entries (identical compound):
KO001216
KO001218
JP004070
KO001219
KO003210
KO003211
KO003209
KO003208
KO003207
KO001217
KO001220
Outputs for 3-Indolebutyric acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003210
Synonyms: 3-Indolebutyrate, Indolebutyric acid, 3-Indolebutyric acid
Total mass: 203.2366
Formula: H13 C12 O2 N1
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: 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: 67.8, 69.8, 80.1, 110.5,
Processing time: 0:00:02.484851
Queried mass list: ['42.900', '46.100', '55.100', '63.800', '66.900', '69.000', '78.900', '81.000', '85.400', '90.700', '97.900', '105.800', '109.700', '112.900', '117.000', '126.700', '129.800', '142.700', '153.200', '168.200']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 42.9 (link to fragments) | 3 | 4 |
| 46.1 (link to fragments) | 2 | 19 |
| 55.1 (link to fragments) | 4 | 6 |
| 63.8 (link to fragments) | 3 | 42 |
| 66.9 (link to fragments) | 4 | 21 |
| 69.0 (link to fragments) | 4 | 5 |
| 78.9 (link to fragments) | 4 | 39 |
| 81.0 (link to fragments) | 4 | 14 |
| 85.4 (link to fragments) | 3 | 56 |
| 90.7 (link to fragments) | 4 | 55 |
| 97.9 (link to fragments) | 4 | 53 |
| 105.8 (link to fragments) | 5 | 43 |
| 109.7 (link to fragments) | 5 | 49 |
| 112.9 (link to fragments) | 1 | 2 |
| 117.0 (link to fragments) | 2 | 3 |
| 126.7 (link to fragments) | 3 | 4 |
| 129.8 (link to fragments) | 3 | 5 |
| 142.7 (link to fragments) | 3 | 6 |
| 153.2 (link to fragments) | 4 | 9 |
| 168.2 (link to fragments) | 2 | 6 |