Related entries (identical compound): OUF00489 PR100624 MT000100

Submission id: MT000100

Outputs for Xanthine; LC-ESI-IT; MS2; m/z: 153.1; [M+H]+

Database: Metabolon Inc.
Entry ID: MT000100
Synonyms: Xanthine
Total mass: 152.1107
Formula: H4 C5 O2 N4

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS2
Instrument: LTQ XL, Thermo Finnigan
Instrument type: LC-ESI-IT
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 155.1,
Replicated queried mass peaks: 83.2, 87.2, 95.2, 101.2, 102.2, 107.1, 108.1, 110.1, 111.1, 121.1, 123.1, 125.2, 126.2, 133.4, 134.2, 136.1, 137.1, 153.0, 154.1,
Processing time: 0:00:01.535014
Queried mass list: ['56.300', '71.100', '81.200', '86.200', '89.200', '93.200', '97.100', '100.200', '106.300', '109.200', '117.100', '120.000', '122.100', '124.200', '133.000', '135.100', '139.000', '152.300']

Queried mass	Num. matched formulas	Num. matched fragments
56.3 (link to fragments)	2	6
71.1 (link to fragments)	2	2
81.2 (link to fragments)	4	6
86.2 (link to fragments)	1	1
89.2	No match found!	No match found!
93.2 (link to fragments)	2	4
97.1 (link to fragments)	2	6
100.2	No match found!	No match found!
106.3 (link to fragments)	3	6
109.2 (link to fragments)	4	8
117.1	No match found!	No match found!
120.0 (link to fragments)	1	2
122.1 (link to fragments)	2	7
124.2 (link to fragments)	2	7
133.0 (link to fragments)	2	5
135.1 (link to fragments)	3	8
139.0 (link to fragments)	2	6
152.3 (link to fragments)	1	1