Choline; LC-ESI-IT; MS2; m/z: 104.2; [M]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: MT000030

Outputs for Choline; LC-ESI-IT; MS2; m/z: 104.2; [M]+

Database: Metabolon Inc.
Entry ID: MT000030
Synonyms: Choline
Total mass: 104.1702
Formula: H14 C5 O1 N1

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: 57.1, 58.2, 60.2, 61.2, 71.1, 72.0, 74.1, 75.2, 86.2, 104.1,
Processing time: 0:00:00.750321

Results for the quried mass "89.1"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C4O1N1	0.036	11	0	C2,C3,C4,C5,N6,O7
C4O1N1	0.036	11	0	C1,C3,C4,C5,N6,O7
C4O1N1	0.036	11	0	C1,C2,C4,C5,N6,O7
C5N1	0.079	15	2	C1,C2,C3,C4,C5,N6
C5O1N1	0.048	1	0	C1,C2,C3,C4,C5,N6,O7