MassBank Record: KO001380



 5-Methoxytryptamine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001380
RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQ; MS2; CE:20 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 M040

CH$NAME: 5-Methoxytryptamine CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14N2O CH$EXACT_MASS: 190.11061 CH$SMILES: COC1=CC2=C(C=C1)NC=C2CCN CH$IUPAC: InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 CH$LINK: CAS 608-07-1 CH$LINK: KEGG C05659 CH$LINK: NIKKAJI J7.009B CH$LINK: PUBCHEM SID:7970
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-1900000000-adf7f816d92642625bdd PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 44.600 49505.0 57 59.100 217822.0 250 83.300 44554.5 51 126.300 64356.5 74 128.800 301980.5 346 143.100 168317.0 193 143.500 138614.0 159 145.200 34653.5 40 155.600 14851.5 17 170.800 79208.0 91 174.100 871288.0 999 189.100 282178.5 324 //