ACCESSION: MSBNK-Keio_Univ-KO009056
RECORD_TITLE: Methoxamine; LC-ESI-IT; MS2; m/z: 212; [M+H]+
DATE: 2011.05.10 (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

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$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60

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

PK$SPLASH: splash10-0006-0900000000-89ab0b5f7f3887939aea
PK$ANNOTATION: m/z struct. num formula mass
  194.1 1 1 C11H16NO2 194.1181
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  71.0 116.03 1
  74.1 1390.60 1
  99.2 196.89 1
  117.1 1087.86 1
  121.1 161.28 1
  130.0 840.27 1
  131.1 1897.78 1
  137.1 1534.12 1
  138.1 527.82 1
  144.1 343.67 1
  147.0 4416.14 1
  149.1 595.37 1
  153.1 199.02 1
  162.1 26811.18 8
  163.1 3218.43 1
  164.9 368.14 1
  167.1 313.82 1
  176.9 111.71 1
  179.1 6116.18 2
  179.8 626.91 1
  193.1 87.12 1
  194.1 3488815.81 999
  195.1 69543.84 20
  195.9 1604.95 1
  212.1 30237.89 9
  213.0 1518.28 1
//