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

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO001091

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

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001091
Synonyms: Hippurate, N-Benzoylglycine, Benzoylaminoacetic acid, Hippuric acid
Total mass: 179.1723
Formula: H9 C9 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: 187.9,
Replicated queried mass peaks: 60.1, 69.1, 73.6, 78.0, 89.3, 91.1, 92.2, 106.1, 115.0, 116.0, 118.1, 128.0, 132.2, 142.3, 143.3, 143.9, 145.5,
Processing time: 0:00:02.142676

Results for the quried mass "90.3"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C7	0.178	6	1	C1,C2,C3,C4,C5,C7,C9
C6O1	0.221	2	0	C1,C2,C3,C5,C7,C9,O13
C6O1	0.221	2	0	C1,C2,C4,C5,C7,C9,O13
C6O1	0.221	2	0	C1,C2,C3,C4,C7,C9,O13
C6O1	0.221	2	0	C1,C3,C4,C5,C7,C9,O13
C6O1	0.221	2	0	C2,C3,C4,C5,C7,C9,O13
C6N1	0.198	4	0	C1,C2,C4,C6,C7,C9,N10
C6N1	0.198	4	0	C1,C3,C5,C6,C7,C9,N10
C6N1	0.198	4	0	C1,C2,C3,C5,C7,C9,N10
C6N1	0.198	4	0	C1,C2,C4,C5,C7,C9,N10
C6N1	0.198	4	0	C1,C2,C3,C4,C7,C9,N10
C6N1	0.198	4	0	C1,C3,C4,C5,C7,C9,N10
C6N1	0.198	4	0	C2,C4,C6,C7,C8,C9,N10
C6N1	0.198	4	0	C2,C3,C4,C5,C7,C9,N10
C6N1	0.198	4	0	C2,C4,C5,C6,C7,C9,N10
C6N1	0.198	4	0	C3,C5,C6,C7,C8,C9,N10
C6N1	0.198	4	0	C3,C4,C5,C6,C7,C9,N10
C6N1	0.198	4	0	C4,C5,C6,C7,C8,C9,N10
C5O1N1	0.240	0	0	C1,C2,C4,C7,C9,N10,O13
C5O1N1	0.240	0	0	C1,C3,C5,C7,C9,N10,O13
C5O1N1	0.240	0	0	C2,C4,C6,C7,C9,N10,O13
C5O1N1	0.240	0	0	C3,C5,C6,C7,C9,N10,O13
C5O1N1	0.240	0	0	C4,C6,C7,C8,C9,N10,O11
C5O1N1	0.240	0	0	C4,C6,C7,C8,C9,N10,O12
C5O1N1	0.240	0	0	C4,C6,C7,C8,C9,N10,O13
C5O1N1	0.240	0	0	C4,C5,C6,C7,C9,N10,O13
C5O1N1	0.240	0	0	C5,C6,C7,C8,C9,N10,O11
C5O1N1	0.240	0	0	C5,C6,C7,C8,C9,N10,O12
C5O1N1	0.240	0	0	C5,C6,C7,C8,C9,N10,O13