Processed databases
Atom-Mass pairs
Related entries (identical compound):
KO001798
KO001795
KO001794
KO001797
KO001796
KO003983
KO003986
KO003984
KO003985
GLS00131
KO003982
OUF00464
JP003897
Outputs for Suberic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001795
Synonyms: Suberate, 1,8-Octanedioic acid, Cork acid, Suberic acid, Octanedioic acid, 1,6-Hexanedicarboxylic acid
Total mass: 174.1938
Formula: H14 C8 O4
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 113.1, 130.1, 131.1, 155.5,
Processing time: 0:00:02.599327
Queried mass list: ['34.800', '57.100', '68.900', '75.300', '79.300', '83.100', '85.300', '96.900', '109.000', '111.100', '114.000', '126.500', '129.300', '155.100', '173.200']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 34.8 (link to fragments) | 1 | 6 |
| 57.1 (link to fragments) | 3 | 9 |
| 68.9 (link to fragments) | 3 | 10 |
| 75.3 (link to fragments) | 2 | 7 |
| 79.3 (link to fragments) | 3 | 9 |
| 83.1 (link to fragments) | 4 | 11 |
| 85.3 (link to fragments) | 4 | 9 |
| 96.9 (link to fragments) | 1 | 2 |
| 109.0 (link to fragments) | 1 | 2 |
| 111.1 (link to fragments) | 1 | 2 |
| 114.0 (link to fragments) | 1 | 2 |
| 126.5 (link to fragments) | 1 | 2 |
| 129.3 (link to fragments) | 1 | 2 |
| 155.1 (link to fragments) | 1 | 4 |
| 173.2 (link to fragments) | 1 | 1 |