ACCESSION: MSBNK-Keio_Univ-KO003403
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
CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60209638

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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 191
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-0900000000-f1d40ff7aa6c88ecdfd5
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
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  62.200 153465.5 1
  65.200 9901.0 1
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  115.100 237624.0 1
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  131.200 1297031.0 4
  132.100 173267.5 1
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  144.100 1173268.5 4
  145.100 89109.0 1
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  173.700 4990104.0 16
  174.200 313099323.0 999
  191.300 257426.0 1
//