MassBank Record: KO003402



 5-Methoxytryptamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003402
RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., 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 CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N
AC$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$FOCUSED_ION: PRECURSOR_M/Z 191 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-0900000000-c4f465460bde21d469be PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 57.300 24752.5 1 62.000 153465.5 1 70.900 49505.0 1 72.700 74257.5 1 83.000 54455.5 1 86.700 113861.5 1 91.100 49505.0 1 100.800 39604.0 1 104.900 767327.5 2 106.200 237624.0 1 108.800 14851.5 1 113.400 207921.0 1 115.100 44554.5 1 116.900 44554.5 1 123.300 163366.5 1 126.900 34653.5 1 128.600 19802.0 1 129.000 39604.0 1 130.100 64356.5 1 130.800 202970.5 1 141.200 262376.5 1 142.100 138614.0 1 143.400 430693.5 1 144.000 79208.0 1 146.400 44554.5 1 148.200 188119.0 1 155.300 39604.0 1 156.100 79208.0 1 158.200 69307.0 1 159.200 1188120.0 3 162.000 222772.5 1 173.700 10242584.5 26 174.200 401074658.5 999 175.200 44554.5 1 191.400 149005099.5 371 209.300 79208.0 1 //