MassBank Record: MSBNK-Keio_Univ-KO003132
ACCESSION: MSBNK-Keio_Univ-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
//