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MassBank Record: KO001372

Minoxidil; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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

ACCESSION: KO001372
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

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

PK$SPLASH: splash10-0a4j-9100000000-77920bdc992ad8a2f9bd
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  39.800 59406.0 666
  45.000 89109.0 999
  57.100 34653.5 389
  58.800 89109.0 999
  65.200 54455.5 611
  74.000 19802.0 222
  82.200 54455.5 611
  106.700 14851.5 167
  150.100 34653.5 389
  175.300 19802.0 222
//

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