MassBank Record: KO002600

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Cyclohexylamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002600
RECORD_TITLE: Cyclohexylamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, 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$EXACT_MASS: 99.1048
CH$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: COMPTOX DTXSID1023996
CH$LINK: INCHIKEY PAFZNILMFXTMIY-UHFFFAOYSA-N
CH$LINK: KEGG C00571
CH$LINK: NIKKAJI J2.870C
CH$LINK: PUBCHEM SID:3850

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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 100
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4i-9000000000-0ee49feae71797bbfabf
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  29.0 74257.5 6.0
  39.1 1287130.0 98.0
  41.0 3465350.0 265.0
  43.3 158416.0 12.0
  53.2 524753.0 40.0
  55.3 1.30545E7 999.0
  65.2 39604.0 3.0
  66.8 128713.0 10.0
  83.2 207921.0 16.0
//