MassBank Record: MSBNK-Keio_Univ-KO009058
ACCESSION: MSBNK-Keio_Univ-KO009058
RECORD_TITLE: Minoxidil; LC-ESI-IT; MS2; m/z: 210; [M+H]+
DATE: 2011.05.10 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, 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: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.65
MS$FOCUSED_ION: PRECURSOR_M/Z 210
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-0006-0920000000-226902b0b5e18eaca083
PK$ANNOTATION: m/z struct. num formula mass
193.1 0 1 C9H13N4O 193.10894
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
51.0 25.02 1
68.2 22.15 1
69.2 35.50 1
83.2 22.93 1
84.1 2310.46 5
85.1 22.76 1
86.2 3902.11 9
96.1 55.74 1
97.1 61.51 1
98.2 205.53 1
100.1 2041.55 5
108.1 75.67 1
110.1 2710.19 6
111.1 1986.11 5
112.1 420.61 1
114.0 24.93 1
123.1 440.46 1
124.1 4180.18 10
125.1 11362.79 27
126.2 85.63 1
127.1 209.57 1
129.1 14.14 1
133.1 302.28 1
137.1 27184.29 64
138.1 5147.40 12
139.1 358.93 1
140.1 65.74 1
141.1 50.10 1
148.1 123.58 1
149.1 72.77 1
150.1 8614.06 20
151.1 5082.44 12
152.1 706.80 2
153.1 20.34 1
164.1 10206.43 24
165.1 4467.75 10
166.1 3152.65 7
167.1 194.45 1
168.1 5073.76 12
176.1 6706.36 16
177.1 2499.76 6
178.1 890.15 2
180.1 52.86 1
181.1 7146.70 17
182.1 250.40 1
192.1 10479.60 24
193.1 427616.31 999
194.0 85.96 1
195.0 84.93 1
197.5 32.62 1
205.3 127.44 1
210.1 145137.72 339
211.1 556.02 1
212.0 26.64 1
//