Processed databases
Atom-Mass pairs
Outputs for Creatinine; GC-EI-TOF; MS; n TMS; RT:577.544 sec
Database: Engineering department, Osaka Univ.
Entry ID: OUF00145
Synonyms: Creatinine
Total mass: 113.1176
Formula: H7 C4 O1 N3
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: 118.0,121.0,124.0,127.0,130.0,133.0,139.0,142.0,145.0,148.0,155.0,158.0,161.0,171.0,174.0,177.0,187.0,190.0,199.0,204.0,214.0,223.0,226.0,234.0,240.0,243.0,254.0,257.0,267.0,270.0,276.0,287.0,295.0,302.0,311.0,314.0,317.0,329.0,332.0,342.0,365.0,370.0,379.0,384.0,395.0,405.0,418.0,421.0,434.0,439.0,445.0,469.0,474.0,478.0,481.0,492.0,
Replicated queried mass peaks: 86.0, 87.0, 89.0, 99.0, 100.0, 102.0, 103.0, 106.0, 110.0, 111.0, 113.0, 114.0, 116.0, 117.0, 122.0, 126.0, 128.0, 129.0, 131.0, 132.0, 134.0, 141.0, 143.0, 144.0, 146.0, 147.0, 149.0, 156.0, 157.0, 159.0, 160.0, 163.0, 172.0, 173.0, 188.0, 200.0, 201.0, 205.0, 215.0, 216.0, 224.0, 228.0, 241.0, 242.0, 256.0, 259.0, 269.0, 277.0, 313.0, 315.0, 316.0, 330.0, 331.0, 372.0, 381.0, 419.0, 435.0, 441.0, 476.0, 479.0, 483.0,
Processing time: 0:00:00.730739
Results for the quried mass "98.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1N2 | 0.103 | 6 | 0 | C1,C2,C3,C4,N5,N7,O8 |
| C4O1N2 | 0.103 | 6 | 0 | C1,C2,C3,C4,N6,N7,O8 |
| C4N3 | 0.126 | 8 | 2 | C1,C2,C3,C4,N5,N6,N7 |
| C3O1N3 | 0.083 | 4 | 0 | C1,C3,C4,N5,N6,N7,O8 |
| C3O1N3 | 0.083 | 4 | 0 | C2,C3,C4,N5,N6,N7,O8 |