ACCESSION: MSBNK-Keio_Univ-KO002599
RECORD_TITLE: Cyclohexylamine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0a4i-9000000000-279ecb6c063cc263eddc
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  39.200 316832.0 7
  41.100 3841588.0 88
  43.100 242574.5 6
  53.000 480198.5 11
  55.200 43732717.0 999
  57.400 34653.5 1
  68.900 44554.5 1
  78.800 14851.5 1
  81.000 108911.0 2
  83.300 7099017.0 162
  100.200 212871.5 5
//