Suberic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO001794

Outputs for Suberic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001794
Synonyms: Suberate, 1,8-Octanedioic acid, Cork acid, Suberic acid, Octanedioic acid, 1,6-Hexanedicarboxylic acid
Total mass: 174.1938
Formula: H14 C8 O4

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: 111.4, 114.5, 128.7,
Processing time: 0:00:02.574762

Results for the quried mass "127.2"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C7O2	0.039	11	0	C1,C2,C3,C4,C5,C6,C8,O11,O12
C7O2	0.039	11	0	C1,C2,C3,C4,C5,C6,C7,O9,O10