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MassBank Record: KO003709

Piperidine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO003709
RECORD_TITLE: Piperidine; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-000f-9000000000-6bcb90141de97851b0ce
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  30.200 257426.0 363
  39.100 707921.5 999
  41.000 653466.0 922
  42.300 118812.0 168
  43.200 118812.0 168
  44.200 44554.5 63
  57.400 14851.5 21
  69.100 44554.5 63
  79.100 9901.0 14
  86.400 44554.5 63
//

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