ACCESSION: MSBNK-Keio_Univ-KO003707
RECORD_TITLE: Piperidine; 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 P034

CH$NAME: Piperidine
CH$NAME: Azacyclohexane
CH$NAME: Hexahydropyridine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₁N
CH$EXACT_MASS: 85.08915
CH$SMILES: C(C1)CCNC1
CH$IUPAC: InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
CH$LINK: CAS 110-89-4
CH$LINK: CHEBI 18049
CH$LINK: KEGG C01746
CH$LINK: NIKKAJI J2.884C
CH$LINK: PUBCHEM SID:4880
CH$LINK: INCHIKEY NQRYJNQNLNOLGT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021165

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$FOCUSED_ION: PRECURSOR_M/Z 86
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-9000000000-c57e3de57c466c728f49
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  30.000 410891.5 12
  39.200 217822.0 6
  41.200 4584163.0 135
  43.100 202970.5 6
  44.200 356436.0 10
  65.200 19802.0 1
  67.100 549505.5 16
  69.200 9297039.0 274
  86.200 33925776.5 999
//