ACCESSION: MSBNK-Keio_Univ-KO003390
RECORD_TITLE: Minoxidil; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-03di-3900000000-f5138ae7a1ba6d04c54a
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
  40.900 74257.5 1
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  44.800 237624.0 2
  55.400 108911.0 1
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  66.600 74257.5 1
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  70.100 301980.5 2
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  77.200 34653.5 1
  78.200 123762.5 1
  79.100 99010.0 1
  80.000 143564.5 1
  81.200 8123770.5 65
  82.300 376238.0 3
  83.300 14376252.0 116
  84.200 100480298.5 808
  85.100 198020.0 2
  86.300 306931.0 2
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  95.900 252475.5 2
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  109.200 2212873.5 18
  110.300 112495162.0 905
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  209.500 29703.0 1
//