Related entries (identical compound): PR100444 PR100443 ML004201 KO002504 KO002502 MT000002 KO002505 KO002506 KO002503 PB001708 PB001709

Submission id: MT000002

Outputs for Betaine; LC-ESI-IT; MS2; m/z: 118.2; [M+H]+

Database: Metabolon Inc.
Entry ID: MT000002
Synonyms: Betaine
Total mass: 117.1459
Formula: H11 C5 O2 N1

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:
Replicated queried mass peaks: 56.4, 57.2, 59.1, 61.2, 62.2, 70.4, 72.2, 73.2, 75.2, 76.1, 82.3, 83.2, 85.2, 86.2, 88.1, 89.2, 91.2, 92.0, 99.1, 101.1, 103.3, 119.2,
Processing time: 0:00:01.175989
Queried mass list: ['55.300', '58.100', '60.200', '69.100', '71.200', '74.500', '81.300', '84.800', '87.200', '90.200', '97.200', '100.100', '102.200', '118.100']

Queried mass	Num. matched formulas	Num. matched fragments
55.3 (link to fragments)	2	2
58.1 (link to fragments)	2	2
60.2 (link to fragments)	2	2
69.1 (link to fragments)	1	1
71.2 (link to fragments)	1	1
74.5 (link to fragments)	1	1
81.3	No match found!	No match found!
84.8	No match found!	No match found!
87.2	No match found!	No match found!
90.2 (link to fragments)	1	2
97.2 (link to fragments)	2	5
100.1 (link to fragments)	2	5
102.2 (link to fragments)	2	5
118.1 (link to fragments)	1	1