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Processed databases
Atom-Mass pairs
Related entries (identical compound): JP009179 MT000004 KO001993 KO001992 KO001991 KO001995 KO001994 JP008906
Submission id: MT000004

Outputs for Pentanoic acid; LC-ESI-IT; MS2; m/z: 101.2; [M-H]-


Database: Metabolon Inc.
Entry ID: MT000004
Synonyms: Pentanoic acid, valeric acid
Total mass: 102.1313
Formula: H10 C5 O2

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS2
Instrument: LTQ XL, Thermo Finnigan
Instrument type: LC-ESI-IT
Ionization: ESI
Ionization mode: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 75.1, 83.2, 102.1,
Processing time: 0:00:00.772820
Queried mass list: ['57.100', '73.200', '82.200', '101.100']



Queried massNum. matched formulasNum. matched fragments
57.1 (link to fragments) 2 2
73.2 (link to fragments) 1 1
82.2 (link to fragments) 2 3
101.1 (link to fragments) 1 1


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