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:73
Database: Plant Science Center, RIKEN
Entry ID: PR010109
Synonyms: 3-Indolylacetonitrile, Indole-3-acetonitrile, 3-Indoleacetonitrile, (Indole-3-yl)acetonitrile, Indol-3-ylacetonitrile
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: 159.0,167.0,170.0,173.0,181.0,184.0,187.0,190.0,194.0,197.0,200.0,203.0,211.0,214.0,225.0,228.0,231.0,
Replicated queried mass peaks: 61.0, 62.0, 64.0, 65.0, 67.0, 68.0, 70.0, 71.0, 73.0, 74.0, 76.0, 77.0, 79.0, 80.0, 82.0, 83.0, 85.0, 86.0, 88.0, 89.0, 91.0, 92.0, 94.0, 95.0, 98.0, 100.0, 101.0, 103.0, 104.0, 106.0, 107.0, 114.0, 115.0, 117.0, 118.0, 120.0, 127.0, 128.0, 130.0, 131.0, 133.0, 134.0, 141.0, 142.0, 144.0, 145.0, 147.0, 154.0, 155.0, 157.0, 158.0, 160.0, 161.0, 168.0, 169.0, 171.0, 172.0, 174.0, 182.0, 183.0, 185.0, 186.0, 188.0, 189.0, 195.0, 196.0, 198.0, 199.0, 201.0, 202.0, 204.0, 212.0, 213.0, 215.0, 216.0, 226.0, 227.0, 229.0, 230.0,
Processing time: 0:00:01.809663
Queried mass list: ['60.000', '63.000', '66.000', '69.000', '72.000', '75.000', '78.000', '81.000', '84.000', '87.000', '90.000', '93.000', '96.000', '99.000', '102.000', '105.000', '113.000', '116.000', '119.000', '126.000', '129.000', '132.000', '140.000', '143.000', '146.000', '153.000', '156.000']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 60.0 (link to fragments) | 1 | 21 |
| 63.0 (link to fragments) | 2 | 39 |
| 66.0 (link to fragments) | 2 | 22 |
| 69.0 | No match found! | No match found! |
| 72.0 (link to fragments) | 1 | 1 |
| 75.0 (link to fragments) | 3 | 6 |
| 78.0 (link to fragments) | 3 | 6 |
| 81.0 (link to fragments) | 2 | 3 |
| 84.0 | No match found! | No match found! |
| 87.0 (link to fragments) | 2 | 6 |
| 90.0 (link to fragments) | 2 | 6 |
| 93.0 (link to fragments) | 2 | 4 |
| 96.0 | No match found! | No match found! |
| 99.0 (link to fragments) | 2 | 6 |
| 102.0 (link to fragments) | 2 | 6 |
| 105.0 (link to fragments) | 2 | 6 |
| 113.0 (link to fragments) | 2 | 7 |
| 116.0 (link to fragments) | 2 | 7 |
| 119.0 (link to fragments) | 1 | 4 |
| 126.0 (link to fragments) | 2 | 8 |
| 129.0 (link to fragments) | 2 | 8 |
| 132.0 (link to fragments) | 2 | 6 |
| 140.0 (link to fragments) | 2 | 9 |
| 143.0 (link to fragments) | 2 | 9 |
| 146.0 (link to fragments) | 1 | 2 |
| 153.0 (link to fragments) | 1 | 1 |
| 156.0 (link to fragments) | 1 | 1 |