Processed databases
Atom-Mass pairs
Related entries (identical compound):
GLS00142
PR010176
KZ000058
OUF00338
KO001337
KO001336
KO001335
KO001334
KO001333
JP005398
JP003892
JP011261
Outputs for Malonic acid; GC-EI-TOF; MS; 2 TMS; BP:147
Database: Plant Science Center, RIKEN
Entry ID: PR010176
Synonyms: Malonic acid, Malonate, Propanedioic acid
Total mass: 104.0613
Formula: H4 C3 O4
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: 109.0,113.0,116.0,119.0,131.0,134.0,143.0,146.0,149.0,159.0,162.0,173.0,189.0,204.0,217.0,233.0,248.0,
Replicated queried mass peaks: 61.0, 62.0, 65.0, 67.0, 70.0, 71.0, 73.0, 74.0, 76.0, 77.0, 79.0, 84.0, 85.0, 87.0, 88.0, 90.0, 91.0, 93.0, 99.0, 100.0, 102.0, 103.0, 105.0, 110.0, 115.0, 117.0, 118.0, 132.0, 133.0, 135.0, 144.0, 145.0, 147.0, 148.0, 150.0, 151.0, 190.0, 191.0, 234.0, 235.0, 249.0,
Processing time: 0:00:01.166569
Queried mass list: ['60.000', '63.000', '66.000', '69.000', '72.000', '75.000', '78.000', '83.000', '86.000', '89.000', '92.000', '98.000', '101.000', '104.000']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 60.0 (link to fragments) | 1 | 2 |
| 63.0 | No match found! | No match found! |
| 66.0 | No match found! | No match found! |
| 69.0 | No match found! | No match found! |
| 72.0 | No match found! | No match found! |
| 75.0 | No match found! | No match found! |
| 78.0 | No match found! | No match found! |
| 83.0 (link to fragments) | 1 | 4 |
| 86.0 (link to fragments) | 1 | 4 |
| 89.0 (link to fragments) | 1 | 4 |
| 92.0 | No match found! | No match found! |
| 98.0 | No match found! | No match found! |
| 101.0 (link to fragments) | 1 | 1 |
| 104.0 (link to fragments) | 1 | 1 |