ACCESSION: MSBNK-Keio_Univ-KO003388
RECORD_TITLE: Minoxidil; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-03dl-0950000000-f76a21fbbfffb939b270
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  57.100 69307.0 1
  59.100 623763.0 2
  60.400 54455.5 1
  69.100 39604.0 1
  69.500 19802.0 1
  73.100 44554.5 1
  80.900 193069.5 1
  83.000 326733.0 1
  84.200 11128724.0 36
  86.300 1618813.5 5
  87.000 59406.0 1
  89.200 960397.0 3
  94.000 24752.5 1
  95.900 39604.0 1
  96.900 54455.5 1
  97.100 34653.5 1
  98.900 69307.0 1
  100.200 1024753.5 3
  102.200 34653.5 1
  105.200 79208.0 1
  107.300 113861.5 1
  109.300 24752.5 1
  110.100 17797047.5 58
  111.200 4485153.0 15
  112.100 128713.0 1
  114.000 29703.0 1
  116.300 29703.0 1
  117.300 579208.5 2
  119.800 84158.5 1
  122.100 34653.5 1
  123.200 232673.5 1
  124.300 5905946.5 19
  125.100 9851495.0 32
  126.200 49505.0 1
  127.300 64356.5 1
  133.100 133663.5 1
  135.400 94059.5 1
  137.100 32316864.0 105
  138.200 4544559.0 15
  139.300 336634.0 1
  141.100 529703.5 2
  142.200 49505.0 1
  146.900 143564.5 1
  148.500 49505.0 1
  150.200 13069320.0 42
  151.300 7495057.0 24
  152.300 1069308.0 3
  153.500 24752.5 1
  157.000 24752.5 1
  161.300 59406.0 1
  163.400 49505.0 1
  164.300 39292118.5 127
  165.200 6376244.0 21
  166.300 2376240.0 8
  168.100 2212873.5 7
  174.100 74257.5 1
  175.100 391089.5 1
  176.100 4178222.0 14
  177.500 925743.5 3
  178.200 2945547.5 10
  181.200 2554458.0 8
  182.500 133663.5 1
  192.400 4861391.0 16
  193.500 308396348.0 999
  208.000 19802.0 1
  208.900 19802.0 1
  210.200 276247801.0 895
  225.000 14851.5 1
//