MassBank Record: MSBNK-Keio_Univ-KO002597
ACCESSION: MSBNK-Keio_Univ-KO002597
RECORD_TITLE: Cyclohexylamine; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 100
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-1900000000-07bc7f7b29f19ae75ff1
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
36.200 89109.0 1
50.000 3722776.0 9
55.100 683169.0 2
64.100 326733.0 1
67.700 54455.5 1
82.300 549505.5 1
83.100 40935684.5 104
99.100 69307.0 1
100.100 393747918.5 999
118.200 69307.0 1
//