ACCESSION: MSBNK-Keio_Univ-KO009059
RECORD_TITLE: Minoxidil; LC-ESI-IT; MS3; m/z: 210/193; [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 0.65/0.55

MS$FOCUSED_ION: PRECURSOR_M/Z 210/193
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-000i-0900000000-d0ba140c6797fdab23cf
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  56.2 3.80 1
  71.2 7.20 1
  73.4 3.40 1
  83.1 18.53 2
  84.2 538.19 65
  85.2 1.67 1
  98.2 47.93 6
  110.1 848.26 103
  111.1 498.20 60
  112.1 9.60 1
  120.0 6.93 1
  123.1 0.80 1
  124.1 1152.12 140
  125.1 2501.38 304
  126.1 13.13 2
  133.0 3.00 1
  136.2 6.40 1
  137.1 8233.05 999
  138.1 1688.09 205
  139.0 27.20 3
  143.1 2.67 1
  147.1 14.53 2
  148.1 39.80 5
  149.1 23.00 3
  150.1 2686.97 326
  151.1 1432.45 174
  152.1 135.80 16
  152.8 12.33 1
  153.6 1.60 1
  161.1 11.00 1
  164.1 3809.55 462
  165.1 920.93 112
  166.1 727.20 88
  167.1 8.93 1
  175.0 35.80 4
  176.1 2084.65 253
  177.1 409.45 50
  178.1 378.66 46
  179.0 7.80 1
  192.1 274.66 33
  193.1 326.33 40
  194.1 127.33 15
  224.3 6.40 1
//