ACCESSION: MSBNK-Keio_Univ-KO008868
RECORD_TITLE: Albendazole; LC-ESI-IT; MS4; m/z: 266/234/192; [M+H]+
DATE: 2011.12.05 (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 A082
COMMENT: [MS3] KO008867

CH$NAME: Albendazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅N₃O₂S
CH$EXACT_MASS: 265.08850
CH$SMILES: CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC
CH$IUPAC: InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
CH$LINK: CAS 54965-21-8
CH$LINK: CHEBI 16664
CH$LINK: KEGG C01779
CH$LINK: PUBCHEM 4909
CH$LINK: INCHIKEY HXHWSAZORRCQMX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0022563

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS4
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.85/0.90/0.60

MS$FOCUSED_ION: PRECURSOR_M/Z 266/234/192
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0a4l-0900000000-64216dfa3a0614af3f6a
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  159.0 155.30 999
  160.2 16.37 105
  164.1 11.37 73
  192.0 18.60 120
  192.9 118.06 759
  307.2 2.90 19
//