Processed databases
Atom-Mass pairs
Related entries (identical compound):
OUF00497
KO000040
KO000041
KZ000111
KZ000110
KO002080
KO002081
KO002082
KO002079
KO002078
KZ000082
PR100216
GLS00053
PR010078
KO000039
Outputs for beta-Alanine; GC-EI-TOF; MS; 3 TMS; BP:73
Database: Plant Science Center, RIKEN
Entry ID: PR010078
Synonyms: beta-Alanine, 3-Aminopropanoate, 3-Aminopropionic acid
Total mass: 89.0929
Formula: H7 C3 O2 N1
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: 95.0,98.0,101.0,104.0,112.0,115.0,118.0,126.0,129.0,132.0,135.0,138.0,142.0,145.0,148.0,157.0,160.0,163.0,171.0,174.0,177.0,187.0,190.0,200.0,203.0,206.0,216.0,219.0,232.0,248.0,251.0,288.0,291.0,304.0,
Replicated queried mass peaks: 61.0, 62.0, 67.0, 70.0, 71.0, 73.0, 74.0, 76.0, 77.0, 79.0, 84.0, 85.0, 87.0, 88.0, 96.0, 97.0, 99.0, 100.0, 102.0, 103.0, 105.0, 113.0, 114.0, 116.0, 117.0, 119.0, 120.0, 128.0, 130.0, 131.0, 133.0, 134.0, 136.0, 140.0, 143.0, 144.0, 146.0, 147.0, 149.0, 150.0, 158.0, 159.0, 161.0, 162.0, 172.0, 173.0, 175.0, 176.0, 178.0, 188.0, 189.0, 191.0, 202.0, 204.0, 205.0, 217.0, 218.0, 233.0, 234.0, 249.0, 250.0, 252.0, 289.0, 290.0, 292.0, 293.0, 305.0, 306.0,
Processing time: 0:00:00.745548
Queried mass list: ['60.000', '63.000', '66.000', '69.000', '72.000', '75.000', '78.000', '83.000', '86.000', '89.000']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 60.0 (link to fragments) | 1 | 1 |
| 63.0 | No match found! | No match found! |
| 66.0 (link to fragments) | 1 | 2 |
| 69.0 (link to fragments) | 2 | 3 |
| 72.0 (link to fragments) | 2 | 3 |
| 75.0 (link to fragments) | 2 | 2 |
| 78.0 | No match found! | No match found! |
| 83.0 (link to fragments) | 1 | 1 |
| 86.0 (link to fragments) | 1 | 1 |
| 89.0 (link to fragments) | 1 | 1 |