Processed databases
Atom-Mass pairs
Outputs for Xanthine; GC-EI-TOF; MS; n TMS; RT:777.894 sec
Database: Engineering department, Osaka Univ.
Entry ID: OUF00489
Synonyms: Xanthine
Total mass: 152.1107
Formula: H4 C5 O2 N4
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: 156.0,159.0,164.0,169.0,172.0,177.0,181.0,196.0,205.0,208.0,212.0,219.0,222.0,228.0,236.0,239.0,246.0,251.0,256.0,264.0,278.0,281.0,293.0,296.0,312.0,337.0,352.0,355.0,358.0,367.0,370.0,399.0,418.0,427.0,462.0,498.0,
Replicated queried mass peaks: 86.0, 87.0, 97.0, 99.0, 100.0, 102.0, 103.0, 112.0, 113.0, 115.0, 116.0, 118.0, 119.0, 126.0, 127.0, 129.0, 130.0, 132.0, 133.0, 140.0, 141.0, 143.0, 144.0, 147.0, 149.0, 150.0, 152.0, 157.0, 158.0, 160.0, 166.0, 170.0, 171.0, 173.0, 174.0, 182.0, 197.0, 198.0, 206.0, 207.0, 221.0, 224.0, 237.0, 238.0, 252.0, 265.0, 266.0, 279.0, 280.0, 282.0, 294.0, 295.0, 297.0, 338.0, 339.0, 353.0, 354.0, 356.0, 357.0, 368.0, 369.0, 371.0, 464.0,
Processing time: 0:00:01.091013
Queried mass list: ['85.000', '89.000', '95.000', '98.000', '101.000', '105.000', '111.000', '114.000', '117.000', '125.000', '128.000', '131.000', '134.000', '139.000', '142.000', '145.000', '148.000', '151.000']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 85.0 (link to fragments) | 4 | 5 |
| 89.0 | No match found! | No match found! |
| 95.0 (link to fragments) | 3 | 7 |
| 98.0 (link to fragments) | 2 | 6 |
| 101.0 | No match found! | No match found! |
| 105.0 (link to fragments) | 1 | 3 |
| 111.0 (link to fragments) | 4 | 8 |
| 114.0 (link to fragments) | 1 | 2 |
| 117.0 | No match found! | No match found! |
| 125.0 (link to fragments) | 2 | 7 |
| 128.0 (link to fragments) | 1 | 2 |
| 131.0 (link to fragments) | 1 | 2 |
| 134.0 (link to fragments) | 2 | 5 |
| 139.0 (link to fragments) | 2 | 6 |
| 142.0 (link to fragments) | 1 | 2 |
| 145.0 | No match found! | No match found! |
| 148.0 (link to fragments) | 1 | 1 |
| 151.0 (link to fragments) | 1 | 1 |