ACCESSION: MSBNK-Keio_Univ-KO009057
RECORD_TITLE: Methoxamine; LC-ESI-IT; MS3; m/z: 212/194; [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 M169
COMMENT: [MS2] KO009056

CH$NAME: Methoxamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₇NO₃
CH$EXACT_MASS: 211.12084
CH$SMILES: COc(c1)cc(C(O)C(C)N)c(OC)c1
CH$IUPAC: InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3
CH$LINK: CAS 390-28-3
CH$LINK: KEGG C07513
CH$LINK: PUBCHEM 9716
CH$LINK: INCHIKEY WJAJPNHVVFWKKL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023290

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 0.60/0.60

MS$FOCUSED_ION: PRECURSOR_M/Z 212/194
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-03dj-0900000000-b48e951bd30b8bffded2
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  121.1 28.15 105
  130.1 1.38 5
  131.1 15.75 59
  132.0 2.23 8
  135.0 17.85 66
  137.1 18.00 67
  147.0 107.63 400
  148.1 5.77 21
  149.0 25.77 96
  153.1 5.08 19
  158.7 1.23 5
  162.1 268.50 999
  163.1 72.71 271
  165.0 18.00 67
  177.1 12.51 47
  179.1 108.86 405
  180.0 12.07 45
  194.1 62.66 233
  195.1 223.56 832
  230.9 2.69 10
//