ACCESSION: MSBNK-BAFG-CSL2311108792
RECORD_TITLE: 2-(2-Hydroxyphenyl)-1H-benzimidazole; LC-ESI-QTOF; MS2; 60 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$MASS_SPECTROMETRY: COLLISION_ENERGY 60
AC$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$SPLASH: splash10-001i-1900000000-015ac36288d63ccfc40f
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  64.0319 1.4 15
  66.0416 1.2 13
  75.0295 1.7 19
  76.0348 1.1 12
  77.0442 13.3 149
  78.0387 1.5 16
  80.055 1.3 14
  89.0425 1.6 17
  90.0391 2 22
  91.0457 6.2 69
  92.0535 32.1 359
  93.0636 1 11
  102.0361 6.6 74
  103.0442 5.9 66
  104.0516 7.5 84
  113.038 1.4 15
  114.0493 2.9 32
  115.0536 3.2 35
  116.0492 1.2 13
  117.0588 4 44
  118.0549 13.6 152
  119.0611 2.3 25
  120.0482 1 11
  127.0559 2.8 31
  128.0528 7.5 84
  129.0565 9.1 102
  130.0434 1.4 15
  130.0663 1.9 21
  131.0617 12.5 140
  132.0688 3.6 40
  138.0487 2.9 32
  139.0545 6.4 71
  140.051 10.4 116
  141.0569 2.9 32
  142.0537 4.1 45
  143.0603 9.7 108
  153.0556 1.8 20
  154.0657 9.7 108
  155.0619 11.1 124
  156.0689 20 224
  157.0767 1.6 17
  164.0501 7.9 88
  165.0567 4 44
  166.0652 4.1 45
  167.0649 6.1 68
  168.0691 27.8 311
  169.0774 1.8 20
  179.0632 1.8 20
  180.0676 5.1 57
  181.0768 89.1 999
  182.0841 43.8 491
  183.0908 14.6 163
  191.0612 4.9 54
  192.0692 11.3 126
  211.0864 1 11
//