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MassBank Record: KO003132

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

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

ACCESSION: KO003132
RECORD_TITLE: Histamine; 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 H058

CH$NAME: Histamine
CH$NAME: 2-(4-Imidazolyl)ethylamine
CH$NAME: 1H-Imidazole-4-ethanamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9N3
CH$EXACT_MASS: 111.07965
CH$SMILES: C1=C(NC=N1)CCN
CH$IUPAC: InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
CH$LINK: CAS 51-45-6
CH$LINK: CHEBI 18295
CH$LINK: CHEMPDB HSM
CH$LINK: KEGG C00388
CH$LINK: NIKKAJI J4.117C
CH$LINK: PUBCHEM SID:3678
CH$LINK: INCHIKEY NTYJJOPFIAHURM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4023125

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$FOCUSED_ION: PRECURSOR_M/Z 112
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00lu-9000000000-77394d92ed9170d75b98
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  29.600 24752.5 11
  39.000 356436.0 162
  41.000 1465348.0 666
  42.100 178218.0 81
  54.000 1064357.5 484
  55.000 267327.0 122
  56.200 193069.5 88
  66.600 64356.5 29
  67.000 594060.0 270
  67.900 1346536.0 612
  69.100 74257.5 34
  78.100 44554.5 20
  81.100 2198022.0 999
  82.000 638614.5 290
  83.100 173267.5 79
  95.200 351485.5 160
//

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