Processed databases
Atom-Mass pairs
Outputs for Pimelic acid; GC-EI-TOF; MS; n TMS; RT:600.456 sec
Database: Engineering department, Osaka Univ.
Entry ID: OUF00263
Synonyms: Heptanedioate, Pimelic acid
Total mass: 160.1673
Formula: H12 C7 O4
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: 163.0,167.0,170.0,173.0,176.0,185.0,188.0,191.0,196.0,199.0,202.0,205.0,213.0,216.0,219.0,229.0,232.0,243.0,246.0,261.0,264.0,286.0,289.0,292.0,304.0,
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, 113.0, 114.0, 116.0, 117.0, 119.0, 120.0, 122.0, 123.0, 125.0, 126.0, 128.0, 129.0, 131.0, 132.0, 134.0, 135.0, 137.0, 138.0, 140.0, 141.0, 143.0, 144.0, 146.0, 147.0, 149.0, 150.0, 152.0, 153.0, 155.0, 156.0, 158.0, 159.0, 161.0, 162.0, 168.0, 169.0, 171.0, 172.0, 174.0, 175.0, 177.0, 186.0, 187.0, 189.0, 190.0, 192.0, 197.0, 198.0, 200.0, 201.0, 203.0, 204.0, 206.0, 207.0, 214.0, 215.0, 217.0, 218.0, 220.0, 230.0, 231.0, 233.0, 244.0, 245.0, 247.0, 262.0, 263.0, 288.0, 290.0, 291.0,
Processing time: 0:00:01.783667
Results for the quried mass "145.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7O3 | 0.176 | 13 | 1 | C1,C2,C3,C4,C5,C6,C7,O9,O10,O11 |
| C7O3 | 0.176 | 13 | 2 | C1,C2,C3,C4,C5,C6,C7,O8,O10,O11 |
| C7O3 | 0.176 | 13 | 1 | C1,C2,C3,C4,C5,C6,C7,O8,O9,O11 |
| C7O3 | 0.176 | 13 | 2 | C1,C2,C3,C4,C5,C6,C7,O8,O9,O10 |