MassBank Record: MSBNK-Keio_Univ-KO002693
ACCESSION: MSBNK-Keio_Univ-KO002693
RECORD_TITLE: Diazoxide; 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 D051
CH$NAME: Diazoxide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7ClN2O2S
CH$EXACT_MASS: 229.99168
CH$SMILES: CC(N1)=NS(=O)(=O)c(c2)c(ccc(Cl)2)1
CH$IUPAC: InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
CH$LINK: CAS
364-98-7
CH$LINK: KEGG
C06949
CH$LINK: NIKKAJI
J5.703G
CH$LINK: PUBCHEM
SID:9164
CH$LINK: INCHIKEY
GDLBFKVLRPITMI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7022914
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 231
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0bu3-1950000000-80f36d9e4aae5c2acf9c
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
57.300 24752.5 33
62.600 24752.5 33
72.700 29703.0 40
76.900 49505.0 66
90.800 54455.5 73
91.700 74257.5 99
100.300 143564.5 192
100.800 29703.0 40
112.300 19802.0 26
126.200 74257.5 99
138.300 14851.5 20
141.000 514852.0 688
141.900 54455.5 73
157.900 747525.5 999
170.200 19802.0 26
171.500 29703.0 40
190.100 103960.5 139
196.300 133663.5 179
214.400 653466.0 873
216.500 24752.5 33
231.100 440594.5 589
//