Suberic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: KO003985

Outputs for Suberic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003985
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: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 87.8,
Processing time: 0:00:01.892672

Results for the quried mass "86.0"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C7	0.091	2	0	C1,C2,C3,C4,C5,C6,C7
C7	0.091	2	0	C1,C2,C3,C4,C5,C6,C8
C5O1	0.132	10	2	C1,C2,C4,C6,C8,O11
C5O1	0.132	10	1	C1,C2,C4,C6,C8,O12
C5O1	0.132	10	2	C1,C2,C3,C5,C7,O9
C5O1	0.132	10	1	C1,C2,C3,C5,C7,O10
C6	0.175	14	2	C1,C2,C3,C4,C5,C6
C4O2	0.089	6	0	C2,C4,C6,C8,O11,O12
C4O2	0.089	6	0	C1,C3,C5,C7,O9,O10