Processed databases
Atom-Mass pairs
Outputs for L-Kynurenine; GC-EI-TOF; MS; n TMS; RT:841.093 sec
Database: Engineering department, Osaka Univ.
Entry ID: OUF00313
Synonyms: L-Kynurenine
Total mass: 208.2134
Formula: H12 C10 O3 N2
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: 212.0,215.0,218.0,221.0,225.0,228.0,231.0,234.0,237.0,241.0,244.0,247.0,250.0,253.0,256.0,259.0,262.0,265.0,268.0,271.0,274.0,277.0,280.0,283.0,288.0,291.0,294.0,301.0,304.0,307.0,310.0,317.0,320.0,323.0,332.0,335.0,352.0,365.0,381.0,391.0,395.0,408.0,423.0,426.0,
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, 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, 141.0, 142.0, 144.0, 145.0, 147.0, 148.0, 150.0, 151.0, 153.0, 154.0, 156.0, 157.0, 159.0, 160.0, 162.0, 163.0, 165.0, 166.0, 168.0, 169.0, 171.0, 172.0, 174.0, 175.0, 177.0, 178.0, 180.0, 181.0, 183.0, 184.0, 186.0, 187.0, 189.0, 190.0, 192.0, 193.0, 195.0, 196.0, 198.0, 199.0, 201.0, 202.0, 204.0, 205.0, 207.0, 208.0, 210.0, 211.0, 213.0, 214.0, 216.0, 217.0, 219.0, 220.0, 222.0, 227.0, 229.0, 230.0, 232.0, 233.0, 235.0, 236.0, 242.0, 243.0, 245.0, 246.0, 248.0, 249.0, 251.0, 252.0, 255.0, 257.0, 258.0, 260.0, 261.0, 263.0, 264.0, 266.0, 267.0, 269.0, 272.0, 273.0, 275.0, 276.0, 278.0, 279.0, 281.0, 282.0, 284.0, 285.0, 289.0, 290.0, 292.0, 293.0, 302.0, 303.0, 305.0, 306.0, 308.0, 309.0, 311.0, 318.0, 319.0, 321.0, 322.0, 333.0, 334.0, 336.0, 337.0, 382.0, 383.0, 392.0, 393.0, 409.0, 410.0, 424.0, 425.0, 427.0, 428.0,
Processing time: 0:00:02.985747
Results for the quried mass "85.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1N1 | 0.104 | 7 | 2 | C5,C6,C8,C9,N12,O13 |
| C4O1N1 | 0.104 | 7 | 2 | C5,C8,C9,C10,N12,O13 |
| C4O1N1 | 0.104 | 7 | 2 | C5,C8,C9,C10,N12,O14 |
| C4O1N1 | 0.104 | 7 | 1 | C5,C8,C9,C10,N12,O15 |
| C6N1 | 0.063 | 1 | 0 | C1,C3,C5,C6,C8,C9,N12 |
| C6N1 | 0.063 | 1 | 0 | C1,C2,C3,C4,C6,C7,N11 |
| C6N1 | 0.063 | 1 | 0 | C1,C2,C4,C6,C7,C9,N11 |
| C6N1 | 0.063 | 1 | 0 | C1,C3,C5,C6,C7,C9,N11 |
| C6N1 | 0.063 | 1 | 0 | C1,C2,C3,C6,C7,C9,N11 |
| C6N1 | 0.063 | 1 | 0 | C1,C3,C4,C6,C7,C9,N11 |
| C6N1 | 0.063 | 1 | 0 | C2,C4,C5,C6,C7,C9,N11 |
| C6N1 | 0.063 | 1 | 0 | C2,C3,C4,C6,C7,C9,N11 |
| C6N1 | 0.063 | 1 | 0 | C3,C5,C6,C7,C8,C9,N11 |
| C6N1 | 0.063 | 1 | 0 | C3,C5,C6,C8,C9,C10,N12 |
| C6N1 | 0.063 | 1 | 0 | C3,C5,C6,C7,C8,C9,N12 |
| C6N1 | 0.063 | 1 | 0 | C3,C4,C5,C6,C7,C9,N11 |
| C6N1 | 0.063 | 1 | 0 | C4,C5,C6,C7,C8,C9,N12 |
| C6N1 | 0.063 | 1 | 0 | C4,C5,C6,C7,C8,C9,N11 |
| C6N1 | 0.063 | 1 | 0 | C5,C6,C7,C8,C9,C10,N11 |
| C6N1 | 0.063 | 1 | 0 | C5,C6,C7,C8,C9,C10,N12 |
| C3O2N1 | 0.061 | 3 | 0 | C5,C8,C10,N12,O14,O15 |
| C7 | 0.083 | 1 | 0 | C1,C2,C4,C5,C6,C7,C9 |
| C7 | 0.083 | 1 | 0 | C1,C3,C5,C6,C8,C9,C10 |
| C7 | 0.083 | 1 | 0 | C1,C2,C3,C5,C6,C8,C9 |
| C7 | 0.083 | 1 | 0 | C1,C2,C3,C4,C6,C7,C9 |
| C7 | 0.083 | 1 | 0 | C1,C2,C3,C4,C5,C6,C9 |
| C7 | 0.083 | 1 | 0 | C1,C3,C4,C5,C6,C7,C9 |
| C7 | 0.083 | 1 | 0 | C1,C3,C5,C6,C7,C8,C9 |
| C7 | 0.083 | 1 | 0 | C1,C2,C3,C5,C6,C7,C9 |
| C7 | 0.083 | 1 | 0 | C2,C4,C5,C6,C7,C8,C9 |
| C7 | 0.083 | 1 | 0 | C2,C3,C4,C5,C6,C7,C9 |
| C7 | 0.083 | 1 | 0 | C3,C4,C5,C6,C7,C8,C9 |
| C7 | 0.083 | 1 | 0 | C3,C5,C6,C7,C8,C9,C10 |
| C7 | 0.083 | 1 | 0 | C4,C5,C6,C7,C8,C9,C10 |
| C4O2 | 0.081 | 5 | 2 | C5,C8,C9,C10,O13,O14 |
| C4O2 | 0.081 | 5 | 1 | C5,C8,C9,C10,O13,O15 |
| C4O2 | 0.081 | 5 | 1 | C5,C8,C9,C10,O14,O15 |