Related entries (identical compound): KO001216 KO001218 JP004070 KO001219 KO003210 KO003211 KO003209 KO003208 KO003207 KO001217 KO001220

Submission id: KO003208

Outputs for 3-Indolebutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003208
Synonyms: 3-Indolebutyrate, Indolebutyric acid, 3-Indolebutyric acid
Total mass: 203.2366
Formula: H13 C12 O2 N1

Structure file (with ALATIS unique atom labels)

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: 71.3, 84.8, 95.9, 98.9, 109.1, 112.9, 127.1, 140.9, 145.2, 169.3, 187.0, 187.6,
Processing time: 0:00:03.024442
Queried mass list: ['45.800', '56.900', '70.600', '74.700', '78.300', '80.800', '83.100', '88.900', '94.900', '98.000', '102.900', '107.100', '110.900', '123.000', '126.100', '130.100', '133.500', '140.100', '144.000', '151.100', '155.100', '158.200', '168.100', '170.300', '186.100', '204.500']

Queried mass	Num. matched formulas	Num. matched fragments
45.8 (link to fragments)	1	1
56.9 (link to fragments)	2	3
70.6 (link to fragments)	3	30
74.7 (link to fragments)	4	55
78.3 (link to fragments)	4	40
80.8 (link to fragments)	4	14
83.1 (link to fragments)	4	32
88.9 (link to fragments)	4	61
94.9 (link to fragments)	4	37
98.0 (link to fragments)	4	29
102.9 (link to fragments)	5	37
107.1 (link to fragments)	6	48
110.9 (link to fragments)	2	3
123.0	No match found!	No match found!
126.1	No match found!	No match found!
130.1	No match found!	No match found!
133.5	No match found!	No match found!
140.1	No match found!	No match found!
144.0 (link to fragments)	3	6
151.1 (link to fragments)	4	8
155.1 (link to fragments)	3	7
158.2 (link to fragments)	3	7
168.1 (link to fragments)	2	7
170.3 (link to fragments)	2	7
186.1 (link to fragments)	3	10
204.5 (link to fragments)	1	1