MassBank Record: MSBNK-Keio_Univ-KO001371
ACCESSION: MSBNK-Keio_Univ-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
//