MassBank Record: MSBNK-Keio_Univ-KO004017
ACCESSION: MSBNK-Keio_Univ-KO004017
RECORD_TITLE: Serotonin; LC-ESI-QQ; MS2; CE:10 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 S041
CH$NAME: Serotonin
CH$NAME: 3-(2-Aminoethyl)-1H-indol-5-ol
CH$NAME: 5-Hydroxytryptamine
CH$NAME: Enteramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12N2O
CH$EXACT_MASS: 176.09496
CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN
CH$IUPAC: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
CH$LINK: CAS
50-67-9
CH$LINK: CHEBI
28790
CH$LINK: KEGG
C00780
CH$LINK: NIKKAJI
J4.107F
CH$LINK: PUBCHEM
SID:4041
CH$LINK: INCHIKEY
QZAYGJVTTNCVMB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8075330
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 177
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-bf65d809200ea387ebf5
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
50.300 19802.0 1
51.700 24752.5 1
70.900 262376.5 3
81.300 24752.5 1
82.900 19802.0 1
87.600 69307.0 1
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117.100 79208.0 1
124.300 19802.0 1
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131.700 143564.5 2
135.100 14851.5 1
141.200 24752.5 1
142.200 123762.5 1
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145.100 153465.5 2
149.400 29703.0 1
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160.100 86490185.5 999
168.900 128713.0 1
177.300 37603998.0 434
195.300 24752.5 1
//