ACCESSION: MSBNK-Keio_Univ-KO009060
RECORD_TITLE: Minoxidil; LC-ESI-IT; MS3; m/z: 210/164; [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 M035
COMMENT: [MS2] KO009058

CH$NAME: Minoxidil
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₅N₅O
CH$EXACT_MASS: 209.12766
CH$SMILES: Nc(c1)n(=O)c(N)nc1N(C2)CCCC2
CH$IUPAC: InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)
CH$LINK: KEGG C07226
CH$LINK: INCHIKEY ZFMITUMMTDLWHR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9040685

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 0.75/0.55

MS$FOCUSED_ION: PRECURSOR_M/Z 210/164
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-014i-0900000000-d109209f2175c76ca333
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  81.2 2.23 53
  122.3 1.01 24
  147.0 5.31 125
  164.1 3.78 89
  165.1 42.29 999
//