5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO001456

Outputs for 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001456
Synonyms: 5-Methoxy-3-indoleaceate, 5-Methoxyindoleacetate, 5-Methoxy-3-indoleacetic acid
Total mass: 205.2095
Formula: H11 C11 O3 N1

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: 84.4, 117.2,
Processing time: 0:00:01.874249

Results for the quried mass "54.1"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C2O2	0.096	2	0	C4,C11,O13,O14
C3N1	0.030	4	1	C2,C3,C10,N12
C3N1	0.030	4	1	C3,C6,C10,N12
C3N1	0.030	4	0	C4,C6,C7,N12
C3O1	0.053	2	0	C2,C3,C8,O15
C3O1	0.053	2	0	C2,C5,C8,O15
C3O1	0.053	2	0	C4,C7,C11,O13
C3O1	0.053	2	0	C4,C7,C11,O14
C3O1	0.053	2	1	C5,C8,C9,O15