ACCESSION: MSBNK-Keio_Univ-KO003389
RECORD_TITLE: Minoxidil; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M035

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$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 210
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-1900000000-9609dde96093ce0602dc
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  45.100 193069.5 1
  56.100 34653.5 1
  57.200 64356.5 1
  59.100 787129.5 4
  68.100 326733.0 2
  68.900 257426.0 1
  70.000 54455.5 1
  72.100 49505.0 1
  81.100 485149.0 2
  82.100 113861.5 1
  83.300 2425745.0 12
  84.200 96069403.0 464
  85.000 84158.5 1
  86.300 886139.5 4
  87.000 64356.5 1
  89.000 529703.5 3
  91.100 34653.5 1
  92.500 34653.5 1
  94.200 34653.5 1
  95.000 108911.0 1
  95.900 123762.5 1
  97.100 207921.0 1
  98.100 668317.5 3
  99.100 29703.0 1
  100.100 777228.5 4
  102.200 39604.0 1
  105.000 198020.0 1
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  108.200 158416.0 1
  110.200 117386256.0 567
  111.100 8450503.5 41
  112.200 183168.5 1
  113.300 207921.0 1
  114.200 19802.0 1
  117.100 24752.5 1
  119.300 24752.5 1
  120.100 133663.5 1
  122.300 1074258.5 5
  123.400 752476.0 4
  124.100 12594072.0 61
  125.000 16371303.5 79
  126.100 316832.0 2
  127.200 44554.5 1
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  135.200 79208.0 1
  136.000 99010.0 1
  137.200 58787187.5 284
  138.200 12524765.0 61
  139.200 2737626.5 13
  141.000 668317.5 3
  147.100 1341585.5 6
  148.000 158416.0 1
  149.300 1415843.0 7
  150.300 44381232.5 214
  151.300 16079224.0 78
  152.400 3742578.0 18
  152.900 64356.5 1
  161.400 257426.0 1
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  163.400 292079.5 1
  164.300 206772484.0 999
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  208.800 39604.0 1
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  240.000 54455.5 1
//