ACCESSION: MSBNK-Keio_Univ-KO003131
RECORD_TITLE: Histamine; 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 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 40 V

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

PK$SPLASH: splash10-015a-9000000000-f51ad8a8259595600938
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  11.100 24752.5 2
  39.100 173267.5 16
  40.900 2985151.5 267
  42.100 371287.5 33
  54.200 1099011.0 98
  55.400 405941.0 36
  56.200 648515.5 58
  62.300 24752.5 2
  67.000 1900992.0 170
  68.200 11163377.5 999
  68.800 133663.5 12
  78.000 257426.0 23
  80.200 113861.5 10
  81.100 3331686.5 298
  82.300 2425745.0 217
  83.300 1905942.5 171
  86.500 24752.5 2
  92.700 29703.0 3
  95.200 6851492.0 613
//