MassBank MassBank Search Contents Download

MassBank Record: KO000605

Diazoxide; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO000605
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 229
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-004i-0090000000-23cdf34c4eb3479d62ab
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  58.800 79208.0 1
  72.800 64356.5 1
  93.300 49505.0 1
  96.900 242574.5 1
  103.100 44554.5 1
  104.300 39604.0 1
  121.600 19802.0 1
  125.200 113861.5 1
  128.800 89109.0 1
  141.100 262376.5 1
  152.700 34653.5 1
  160.800 14851.5 1
  165.200 1044555.5 5
  169.200 103960.5 1
  188.900 371287.5 2
  193.200 198020.0 1
  210.700 9901.0 1
  228.000 54455.5 1
  229.000 193747718.5 999
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze