ACCESSION: MSBNK-Keio_Univ-KO001379
RECORD_TITLE: 5-Methoxytryptamine; 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 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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 189
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-000i-0900000000-54e5a7201f25456dcad8
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  45.200 49505.0 22
  59.000 163366.5 74
  101.000 24752.5 11
  126.900 168317.0 76
  128.900 391089.5 176
  142.900 188119.0 85
  143.300 133663.5 60
  144.800 54455.5 25
  155.800 24752.5 11
  157.400 14851.5 7
  174.000 84158.5 38
  189.500 2217824.0 999
//