Processed databases
Atom-Mass pairs
Related entries (identical compound):
KO001579
KO001578
KO001577
BML82023
BML82022
BML82021
BML82020
KO003685
KO003684
KO003681
KO003683
KO003682
PR100275
KO001580
PR100699
KO001576
Outputs for Pyridoxal; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003681
Synonyms: Pyridoxal
Total mass: 167.1616
Formula: H9 C8 O3 N1
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 76.0, 83.2, 97.9, 101.4, 105.8, 106.1, 108.1, 109.1, 118.2, 119.0, 122.9, 133.2, 151.2,
Processing time: 0:00:02.289550
Queried mass list: ['50.000', '64.300', '68.100', '75.200', '78.100', '82.400', '88.900', '91.000', '96.100', '99.800', '104.200', '107.500', '109.800', '113.900', '117.600', '122.200', '131.700', '136.000', '150.200', '168.000']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 50.0 (link to fragments) | 2 | 15 |
| 64.3 (link to fragments) | 4 | 30 |
| 68.1 (link to fragments) | 3 | 10 |
| 75.2 (link to fragments) | 3 | 33 |
| 78.1 (link to fragments) | 5 | 26 |
| 82.4 (link to fragments) | 4 | 4 |
| 88.9 (link to fragments) | 1 | 1 |
| 91.0 (link to fragments) | 2 | 3 |
| 96.1 (link to fragments) | 2 | 3 |
| 99.8 | No match found! | No match found! |
| 104.2 (link to fragments) | 1 | 2 |
| 107.5 (link to fragments) | 2 | 3 |
| 109.8 (link to fragments) | 2 | 3 |
| 113.9 (link to fragments) | 1 | 1 |
| 117.6 (link to fragments) | 1 | 2 |
| 122.2 (link to fragments) | 2 | 3 |
| 131.7 (link to fragments) | 2 | 4 |
| 136.0 (link to fragments) | 3 | 5 |
| 150.2 (link to fragments) | 3 | 6 |
| 168.0 (link to fragments) | 1 | 1 |