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Atom-Mass pairs
Submission id: KO000537

Outputs for Cumic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-


Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO000537
Synonyms: Cumate, p-Cumate, Cumic acid
Total mass: 164.2006
Formula: H12 C10 O2

Experimental information


MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 37.3, 135.3,
Processing time: 0:00:01.611098

Results for the quried mass "35.3"

FormulaMass differencesNum. used protonsNum. required extra protonsAtom names
C3 0.276 1 0 C4,C6,C8
C3 0.276 1 0 C6,C9,C10
C3 0.276 1 0 C1,C2,C7
C3 0.276 1 0 C1,C7,C8
C3 0.276 1 0 C2,C7,C8
C3 0.276 1 0 C3,C4,C8
C3 0.276 1 0 C3,C7,C8
C3 0.276 1 0 C3,C5,C9
C3 0.276 1 0 C3,C5,C8
C3 0.276 1 0 C4,C7,C8
C3 0.276 1 0 C4,C6,C9
C3 0.276 1 0 C5,C6,C9
C3 0.276 1 0 C5,C9,C10


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