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MassBank Record: KO003735

Piperazine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003735
RECORD_TITLE: Piperazine; 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 P046

CH$NAME: Piperazine
CH$NAME: Diethylenediamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H10N2
CH$EXACT_MASS: 86.08440
CH$SMILES: C(C1)NCCN1
CH$IUPAC: InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2
CH$LINK: CAS 110-85-0
CH$LINK: CHEBI 28568
CH$LINK: KEGG C07973
CH$LINK: NIKKAJI J1.981J
CH$LINK: PUBCHEM SID:10174
CH$LINK: INCHIKEY GLUUGHFHXGJENI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021164

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$FOCUSED_ION: PRECURSOR_M/Z 87
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-9000000000-e8dc1b97c0a6a42c758a
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  22.900 24752.5 2
  41.000 123762.5 9
  41.900 321782.5 23
  43.200 133663.5 10
  44.000 13965360.5 999
  54.900 103960.5 7
  56.000 445545.0 32
  56.800 99010.0 7
  58.300 272277.5 19
  68.200 178218.0 13
  69.300 103960.5 7
  70.100 2925745.5 209
  85.000 1084159.5 78
  87.200 6896046.5 493
  181.400 64356.5 5
//

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