Aminocaproic acid; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+

Computational Annotation of MS Peaks (CAMP)

Home
Processed databases
Atom-Mass pairs

Submission id: PB000471

Outputs for Aminocaproic acid; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+

Database: Institute of Plant Biochemistry, Halle, Germany
Entry ID: PB000471
Synonyms: Aminocaproic acid , 6-aminohexanoic acid
Total mass: 131.1724
Formula: H13 C6 O2 N1

Experimental information

MS type: MS2
Instrument: API QSTAR Pulsar i
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 43.02, 43.055, 68.051, 69.071, 71.05, 72.082, 81.059, 96.083,
Processing time: 0:00:01.569757

Results for the quried mass "70.067"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5	0.066	10	0	C1,C2,C3,C4,C5
C5	0.066	10	2	C1,C2,C3,C4,C6
C3O2	0.020	2	0	O9,C2,C4,C6,O8
C4O1	0.023	6	0	C1,C2,C4,C6,O8
C4O1	0.023	6	0	C1,C2,C4,C6,O9
C4N1	0.046	8	0	C1,C2,C3,C5,N7
C6	0.019	2	0	C1,C2,C3,C4,C5,C6