Processed databases
Atom-Mass pairs
Outputs for Coniferyl aldehyde; GC-EI-TOF; MS; n TMS; RT:756.392 sec
Database: Engineering department, Osaka Univ.
Entry ID: OUF00144
Synonyms: Coniferyl aldehyde
Total mass: 178.1842
Formula: H10 C10 O3
Experimental information
MS type: MS
Instrument: 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: 181.0,185.0,188.0,191.0,194.0,198.0,201.0,204.0,207.0,211.0,214.0,217.0,220.0,224.0,228.0,231.0,234.0,237.0,240.0,243.0,246.0,249.0,252.0,259.0,262.0,265.0,271.0,277.0,280.0,314.0,317.0,346.0,382.0,388.0,433.0,444.0,492.0,
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, 107.0, 108.0, 110.0, 111.0, 114.0, 115.0, 117.0, 118.0, 120.0, 121.0, 123.0, 124.0, 126.0, 127.0, 129.0, 130.0, 132.0, 133.0, 135.0, 136.0, 138.0, 141.0, 142.0, 144.0, 145.0, 147.0, 148.0, 150.0, 151.0, 153.0, 154.0, 157.0, 158.0, 160.0, 161.0, 163.0, 164.0, 166.0, 167.0, 170.0, 173.0, 174.0, 176.0, 177.0, 179.0, 180.0, 186.0, 187.0, 189.0, 190.0, 192.0, 193.0, 195.0, 200.0, 202.0, 203.0, 205.0, 206.0, 208.0, 209.0, 212.0, 213.0, 215.0, 216.0, 218.0, 219.0, 221.0, 222.0, 226.0, 229.0, 230.0, 232.0, 233.0, 235.0, 238.0, 241.0, 242.0, 247.0, 248.0, 250.0, 251.0, 261.0, 263.0, 264.0, 267.0, 278.0, 279.0, 281.0,
Processing time: 0:00:02.331127
Results for the quried mass "85.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7 | 0.083 | 1 | 0 | C2,C3,C5,C7,C8,C9,C10 |
| C7 | 0.083 | 1 | 0 | C2,C3,C4,C5,C8,C9,C10 |
| C7 | 0.083 | 1 | 0 | C2,C3,C4,C5,C7,C8,C10 |
| C7 | 0.083 | 1 | 0 | C2,C3,C4,C5,C7,C8,C9 |
| C7 | 0.083 | 1 | 0 | C2,C3,C4,C5,C6,C8,C9 |
| C7 | 0.083 | 1 | 0 | C2,C3,C4,C7,C8,C9,C10 |
| C7 | 0.083 | 1 | 0 | C2,C3,C6,C7,C8,C9,C10 |
| C7 | 0.083 | 1 | 0 | C2,C3,C4,C5,C6,C7,C8 |
| C7 | 0.083 | 1 | 0 | C2,C3,C4,C6,C7,C8,C10 |
| C7 | 0.083 | 1 | 0 | C3,C4,C5,C7,C8,C9,C10 |
| C4O2 | 0.081 | 5 | 0 | C1,C7,C9,C10,O12,O13 |
| C4O2 | 0.081 | 5 | 0 | C1,C5,C9,C10,O12,O13 |