MassBank Record: KO002601



 Cyclohexylamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002601
RECORD_TITLE: Cyclohexylamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID C114

CH$NAME: Cyclohexylamine CH$NAME: Cyclohexanamine CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H13N CH$EXACT_MASS: 99.10480 CH$SMILES: NC(C1)CCCC1 CH$IUPAC: InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2 CH$LINK: CAS 108-91-8 CH$LINK: CHEBI 15773 CH$LINK: KEGG C00571 CH$LINK: NIKKAJI J2.870C CH$LINK: PUBCHEM SID:3850 CH$LINK: INCHIKEY PAFZNILMFXTMIY-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 100 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4u-9000000000-9e995786680410021ca7 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 29.000 64356.5 42 39.300 1222773.5 806 41.100 1133664.5 748 50.500 14851.5 10 53.100 202970.5 134 55.100 1514853.0 999 67.200 64356.5 42 82.900 39604.0 26 //