ACCESSION: MSBNK-Keio_Univ-KO003736
RECORD_TITLE: Piperazine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-0006-9000000000-f2155d32a2f87a5d94d4
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  22.900 34653.5 5
  41.300 128713.0 19
  42.300 331683.5 49
  43.100 103960.5 15
  44.000 6797036.5 999
  54.800 108911.0 16
  56.000 287129.0 42
  58.100 113861.5 17
  68.100 89109.0 13
  68.900 24752.5 4
  70.200 306931.0 45
  85.400 64356.5 9
  87.300 222772.5 33
//