ACCESSION: MSBNK-Keio_Univ-KO003737
RECORD_TITLE: Piperazine; 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 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 50 V

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

PK$SPLASH: splash10-0006-9000000000-1d40ce3733d7fba748f0
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  28.800 54455.5 52
  39.200 24752.5 24
  42.200 202970.5 193
  44.200 1049506.0 999
  53.900 29703.0 28
  56.000 103960.5 99
  69.900 19802.0 19
//