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Atom-Mass pairs
Related entries (identical compound): JP002234 MT000008 JP003528 KO001094 KO001092 KO001093 KO001091 KO001095 BML81398 OUF00264 OUF00265 BML01204 BML81395 BML81396 BML81397
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

Structure file (with ALATIS unique atom labels)

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
Queried mass list: ['59.300', '61.400', '63.900', '67.800', '70.300', '72.400', '77.000', '86.000', '88.200', '90.300', '93.200', '96.000', '101.900', '104.800', '110.100', '114.100', '116.900', '119.500', '123.900', '127.400', '130.900', '133.900', '141.900', '145.100', '148.000', '159.800', '178.200']



Queried massNum. matched formulasNum. matched fragments
59.3 (link to fragments) 2 11
61.4 (link to fragments) 2 16
63.9 (link to fragments) 3 19
67.8 (link to fragments) 2 9
70.3 (link to fragments) 3 10
72.4 (link to fragments) 3 16
77.0 (link to fragments) 4 26
86.0 (link to fragments) 3 16
88.2 (link to fragments) 4 29
90.3 (link to fragments) 4 29
93.2 (link to fragments) 3 19
96.0 (link to fragments) 2 12
101.9 (link to fragments) 2 2
104.8 (link to fragments) 1 1
110.1 (link to fragments) 1 1
114.1 (link to fragments) 2 2
116.9 (link to fragments) 1 1
119.5 (link to fragments) 1 1
123.9 (link to fragments) 1 2
127.4 (link to fragments) 2 3
130.9 (link to fragments) 1 1
133.9 (link to fragments) 2 4
141.9 (link to fragments) 1 3
145.1 (link to fragments) 1 4
148.0 (link to fragments) 1 4
159.8 (link to fragments) 2 8
178.2 (link to fragments) 1 1


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