Processed databases
Atom-Mass pairs
Related entries (identical compound):
PR100931
OUF00187
KO002878
KO002876
KO002875
KO002874
KO002877
PR100469
Outputs for DL-Ethionine; GC-EI-TOF; MS; n TMS; RT:591.244 sec
Database: Engineering department, Osaka Univ.
Entry ID: OUF00187
Synonyms: DL-Ethionine
Total mass: 163.2374
Formula: H13 C6 S1 O2 N1
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: 167.0,170.0,173.0,176.0,186.0,189.0,192.0,202.0,205.0,216.0,219.0,222.0,230.0,233.0,245.0,263.0,266.0,292.0,307.0,310.0,
Replicated queried mass peaks: 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, 111.0, 112.0, 114.0, 115.0, 117.0, 118.0, 120.0, 121.0, 127.0, 128.0, 130.0, 131.0, 133.0, 134.0, 141.0, 142.0, 144.0, 145.0, 147.0, 148.0, 150.0, 156.0, 157.0, 159.0, 160.0, 162.0, 163.0, 165.0, 166.0, 172.0, 174.0, 175.0, 188.0, 190.0, 191.0, 193.0, 194.0, 203.0, 204.0, 217.0, 218.0, 220.0, 221.0, 231.0, 232.0, 234.0, 235.0, 246.0, 264.0, 265.0, 267.0, 293.0, 308.0, 309.0,
Processing time: 0:00:01.807923
Queried mass list: ['85.000', '88.000', '91.000', '94.000', '97.000', '100.000', '103.000', '110.000', '113.000', '116.000', '119.000', '126.000', '129.000', '132.000', '135.000', '140.000', '143.000', '146.000', '149.000', '155.000', '158.000', '161.000', '164.000']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 85.0 (link to fragments) | 5 | 6 |
| 88.0 (link to fragments) | 5 | 5 |
| 91.0 (link to fragments) | 1 | 1 |
| 94.0 (link to fragments) | 1 | 1 |
| 97.0 (link to fragments) | 1 | 1 |
| 100.0 (link to fragments) | 1 | 1 |
| 103.0 (link to fragments) | 1 | 1 |
| 110.0 (link to fragments) | 1 | 1 |
| 113.0 (link to fragments) | 1 | 1 |
| 116.0 (link to fragments) | 1 | 1 |
| 119.0 (link to fragments) | 1 | 1 |
| 126.0 (link to fragments) | 1 | 1 |
| 129.0 (link to fragments) | 1 | 1 |
| 132.0 (link to fragments) | 1 | 1 |
| 135.0 (link to fragments) | 3 | 4 |
| 140.0 (link to fragments) | 3 | 4 |
| 143.0 (link to fragments) | 3 | 4 |
| 146.0 (link to fragments) | 3 | 4 |
| 149.0 (link to fragments) | 4 | 4 |
| 155.0 (link to fragments) | 1 | 1 |
| 158.0 (link to fragments) | 1 | 1 |
| 161.0 (link to fragments) | 1 | 1 |
| 164.0 (link to fragments) | 1 | 1 |