Processed databases
Atom-Mass pairs
Related entries (identical compound):
KO001210
PR100049
KO003203
KO003202
KO003205
KO003204
KO001208
PR010109
KZ000215
PR100050
KO001207
KO001206
KO001209
PB006044
PB006045
PB006046
KO003206
Outputs for 3-Indoleacetonitrile; GC-EI-TOF; MS; 1 TMS; BP:129
Database: Kazusa DNA Research Institute
Entry ID: KZ000215
Synonyms: Indole-3-acetonitrile, 3-Indoleacetonitrile
Total mass: 156.1836
Formula: H8 C10 N2
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MSInstrument: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
Instrument type: GC-EI-TOF
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks: 161.0,166.0,169.0,172.0,175.0,180.0,183.0,186.0,189.0,194.0,197.0,200.0,203.0,210.0,213.0,216.0,225.0,228.0,231.0,
Replicated queried mass peaks: 83.0, 84.0, 86.0, 87.0, 89.0, 90.0, 92.0, 93.0, 95.0, 96.0, 98.0, 99.0, 101.0, 102.0, 104.0, 105.0, 107.0, 108.0, 112.0, 113.0, 115.0, 116.0, 118.0, 119.0, 121.0, 125.0, 127.0, 128.0, 130.0, 131.0, 133.0, 134.0, 140.0, 141.0, 143.0, 144.0, 146.0, 147.0, 153.0, 154.0, 156.0, 157.0, 159.0, 160.0, 162.0, 167.0, 168.0, 170.0, 171.0, 173.0, 174.0, 181.0, 182.0, 184.0, 185.0, 187.0, 188.0, 190.0, 195.0, 196.0, 198.0, 199.0, 201.0, 202.0, 204.0, 211.0, 212.0, 214.0, 215.0, 226.0, 227.0, 229.0, 230.0,
Processing time: 0:00:01.453076
Queried mass list: ['82.000', '85.000', '88.000', '91.000', '94.000', '97.000', '100.000', '103.000', '106.000', '111.000', '114.000', '117.000', '120.000', '123.000', '126.000', '129.000', '132.000', '135.000', '139.000', '142.000', '145.000', '148.000', '152.000', '155.000', '158.000']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 82.0 (link to fragments) | 1 | 1 |
| 85.0 (link to fragments) | 1 | 4 |
| 88.0 (link to fragments) | 2 | 6 |
| 91.0 (link to fragments) | 2 | 6 |
| 94.0 (link to fragments) | 2 | 3 |
| 97.0 (link to fragments) | 1 | 3 |
| 100.0 (link to fragments) | 2 | 6 |
| 103.0 (link to fragments) | 2 | 6 |
| 106.0 (link to fragments) | 2 | 4 |
| 111.0 (link to fragments) | 2 | 7 |
| 114.0 (link to fragments) | 2 | 7 |
| 117.0 (link to fragments) | 2 | 7 |
| 120.0 (link to fragments) | 1 | 2 |
| 123.0 (link to fragments) | 2 | 8 |
| 126.0 (link to fragments) | 2 | 8 |
| 129.0 (link to fragments) | 2 | 8 |
| 132.0 (link to fragments) | 2 | 6 |
| 135.0 (link to fragments) | 2 | 9 |
| 139.0 (link to fragments) | 2 | 9 |
| 142.0 (link to fragments) | 2 | 9 |
| 145.0 (link to fragments) | 1 | 7 |
| 148.0 (link to fragments) | 1 | 1 |
| 152.0 (link to fragments) | 1 | 1 |
| 155.0 (link to fragments) | 1 | 1 |
| 158.0 (link to fragments) | 1 | 1 |