Processed databases
Atom-Mass pairs
Related entries (identical compound):
KO001421
KO001420
PR100874
JP003539
JP011335
KO001417
KO001418
KO001419
JP011565
Outputs for MANDELIC ACID; EI-B; MS
Database: UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH, Tokyo
Entry ID: JP003539
Synonyms: MANDELIC ACID
Total mass: 152.147
Formula: H8 C8 O3
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MSInstrument: HITACHI RMU-6E
Instrument type: EI-B
Ionization: 70 eV
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 28.0, 29.0, 39.0, 51.0, 52.0, 53.5, 63.0, 75.0, 76.0, 78.0, 79.0, 90.0, 91.0, 106.0, 107.0, 109.0,
Processing time: 0:00:02.285218
Queried mass list: ['27.000', '38.000', '45.000', '50.000', '53.000', '62.000', '74.000', '77.000', '80.000', '89.000', '105.000', '108.000', '152.000']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 27.0 (link to fragments) | 2 | 11 |
| 38.0 (link to fragments) | 1 | 9 |
| 45.0 (link to fragments) | 1 | 1 |
| 50.0 (link to fragments) | 1 | 11 |
| 53.0 (link to fragments) | 2 | 14 |
| 62.0 (link to fragments) | 1 | 13 |
| 74.0 (link to fragments) | 2 | 2 |
| 77.0 (link to fragments) | 3 | 14 |
| 80.0 (link to fragments) | 2 | 18 |
| 89.0 (link to fragments) | 1 | 1 |
| 105.0 (link to fragments) | 1 | 1 |
| 108.0 (link to fragments) | 2 | 4 |
| 152.0 (link to fragments) | 1 | 1 |