ACCESSION: MSBNK-Keio_Univ-KO003387
RECORD_TITLE: Minoxidil; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-03di-0090000000-86dd850029e96dce7cb4
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  60.300 64356.5 1
  77.800 69307.0 1
  80.900 168317.0 1
  81.900 39604.0 1
  84.200 123762.5 1
  85.700 49505.0 1
  86.300 14851.5 1
  91.800 9901.0 1
  99.800 19802.0 1
  104.900 64356.5 1
  107.300 19802.0 1
  110.300 301980.5 1
  111.300 94059.5 1
  117.000 301980.5 1
  119.300 24752.5 1
  120.000 113861.5 1
  123.300 19802.0 1
  124.300 118812.0 1
  125.000 282178.5 1
  129.300 19802.0 1
  131.000 29703.0 1
  133.200 34653.5 1
  134.800 24752.5 1
  137.100 950496.0 1
  138.300 158416.0 1
  139.300 34653.5 1
  141.800 49505.0 1
  146.000 79208.0 1
  149.100 19802.0 1
  150.100 460396.5 1
  151.200 767327.5 1
  152.200 153465.5 1
  164.300 2504953.0 2
  165.200 183168.5 1
  168.300 138614.0 1
  174.100 287129.0 1
  175.400 277228.0 1
  176.200 128713.0 1
  177.100 336634.0 1
  178.400 1361387.5 1
  181.400 108911.0 1
  192.200 267327.0 1
  193.300 28569335.5 28
  196.100 39604.0 1
  210.200 1015545570.0 999
  211.000 168317.0 1
  228.500 103960.5 1
  426.800 34653.5 1
//