ACCESSION: MSBNK-Keio_Univ-KO009041
RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-IT; MS3; m/z: 219/174; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M103
COMMENT: [MS2] KO009040

CH$NAME: 5-Methoxy-N,N-dimethyltryptamine
CH$NAME: Indole, 3-(2-(N,N-dimethylamino)ethyl)-5-methoxy-
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈N₂O
CH$EXACT_MASS: 218.14191
CH$SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)OC
CH$IUPAC: InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
CH$LINK: CAS 1019-45-0
CH$LINK: KEGG C08309
CH$LINK: PUBCHEM 10507
CH$LINK: INCHIKEY ZSTKHSQDNIGFLM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70144324

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.65/0.70

MS$FOCUSED_ION: PRECURSOR_M/Z 219/174
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0a4i-0900000000-2a00c789bf0a52b49304
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  80.0 2.31 2
  81.2 9.84 7
  91.1 2.85 2
  105.1 11.46 8
  107.0 14.77 10
  108.1 2.92 2
  115.1 20.22 14
  115.9 2.23 2
  117.1 46.07 32
  118.1 36.92 26
  119.1 20.92 15
  119.9 1.31 1
  128.1 7.22 5
  129.1 20.08 14
  130.1 5.99 4
  131.1 83.84 59
  132.1 15.15 11
  133.1 2.54 2
  142.1 30.38 21
  143.1 195.94 137
  144.0 125.05 88
  145.1 44.93 31
  146.1 68.84 48
  147.1 76.51 54
  148.1 9.62 7
  156.1 2.61 2
  158.1 7.85 6
  159.0 1424.97 999
  160.0 213.94 150
  161.1 2.08 1
  162.1 7.77 5
  163.3 2.31 2
  175.1 146.33 103
  176.2 4.46 3
  187.0 2.46 2
  189.1 1.85 1
  233.1 1.77 1
//