ACCESSION: MSBNK-Keio_Univ-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
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 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
//