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MassBank Record: KO001371

Minoxidil; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO001371
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 208
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0a4l-9610000000-44aa7ff70200e0521eef
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  40.300 108911.0 814
  44.900 128713.0 962
  56.900 59406.0 444
  59.000 99010.0 740
  78.100 64356.5 481
  82.300 94059.5 703
  105.100 59406.0 444
  106.800 29703.0 222
  124.800 9901.0 74
  127.800 24752.5 185
  147.700 24752.5 185
  150.300 133663.5 999
  162.400 29703.0 222
  174.600 89109.0 666
  175.700 9901.0 74
  208.300 94059.5 703
//

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