ACCESSION: MSBNK-Keio_Univ-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$EXACT_MASS: 99.10480
CH$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$LINK: INCHIKEY PAFZNILMFXTMIY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1023996

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.
  29.000 74257.5 6
  39.100 1287130.0 98
  41.000 3465350.0 265
  43.300 158416.0 12
  53.200 524753.0 40
  55.300 13054468.5 999
  65.200 39604.0 3
  66.800 128713.0 10
  83.200 207921.0 16
//