ACCESSION: MSBNK-Keio_Univ-KO009061
RECORD_TITLE: Minoxidil; LC-ESI-IT; MS3; m/z: 210/125; [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$FOCUSED_ION: PRECURSOR_M/Z 210/125
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-004i-3900000000-206efea94e0ef1288088
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  68.1 9.53 44
  69.2 4.77 22
  82.2 21.15 99
  83.2 2.46 11
  94.2 5.85 27
  97.1 7.62 36
  98.1 35.42 165
  108.2 8.60 40
  124.1 6.97 33
  125.1 213.97 999
  126.0 13.05 61
  186.1 1.30 6
//