ACCESSION: MSBNK-BAFG-CSL2311108798
RECORD_TITLE: 2-(2-Hydroxyphenyl)-1H-benzimidazole; LC-ESI-QTOF; MS2; 110 V
DATE: 2023.11.10
AUTHORS: Kevin S. Jewell; Björn Ehlig; Arne Wick
LICENSE: dl-de/by-2-0
COPYRIGHT: Copyright 2023 Federal Institute of Hydrology, Koblenz, Germany
COMMENT: CONFIDENCE Reference Standard (Level 1)
COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
COMMENT: Acquisition method: 10.1002/rcm.8541

CH$NAME: 2-(2-Hydroxyphenyl)-1H-benzimidazole
CH$COMPOUND_CLASS: Industrial_process; Pharmaceutical
CH$FORMULA: C₁₃H₁₀N₂O
CH$EXACT_MASS: 210.0793
CH$SMILES: C1=CC=C2C(=C1)NC(=C3C=CC=CC3=O)N2
CH$IUPAC: InChI=1S/C13H10N2O/c16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13/h1-8,14-15H
CH$LINK: CAS 2963-66-8
CH$LINK: INCHIKEY IOJWAAXMYYMGMG-UHFFFAOYSA-N

AC$INSTRUMENT: TripleTOF 5600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 110
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 °C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 0 min min 98% A, 1 min 98% A, 2 min 80% A, 16.5 min 2% A, 22 min 2% A, 22.1 min 98% A, 27 min 98% A
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 6.225 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 211.0866
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1

PK$SPLASH: splash10-00or-9200000000-01b8385d40987f277d2c
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  52.0299 1.3 88
  64.0345 2.6 177
  65.0462 14.6 999
  73.0125 0.6 41
  74.0199 6.3 431
  75.0149 0.8 54
  75.0282 5.3 362
  76.0247 3.9 266
  77.043 6.3 431
  85.011 0.6 41
  86.0196 2.5 171
  87.0276 2 136
  88.0256 1 68
  89.043 2 136
  90.0361 1.1 75
  91.0454 1.8 123
  92.0553 0.8 54
  98.0176 0.7 47
  99.0212 0.7 47
  101.0418 1.1 75
  102.0382 2.4 164
  103.045 0.7 47
  104.0498 0.7 47
  111.0244 0.9 61
  112.0201 0.6 41
  113.0423 0.9 61
  114.0357 0.8 54
  115.0503 0.5 34
  125.0395 0.8 54
  126.0458 0.9 61
  127.0536 0.4 27
  128.0522 1 68
  129.0424 0.4 27
  137.04 0.9 61
  138.0389 0.5 34
  152.0546 0.5 34
  179.0595 0.7 47
//