ACCESSION: MSBNK-BAFG-CSL2311108790
RECORD_TITLE: 2-(2-Hydroxyphenyl)-1H-benzimidazole; LC-ESI-QTOF; MS2; 50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50
AC$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$SPLASH: splash10-001i-1900000000-e88cf7e5c73bb4b0dceb
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  77.0451 7.6 51
  80.0541 3.3 22
  90.0387 2.6 17
  91.0463 3.6 24
  92.0532 91.1 619
  93.0608 2.3 15
  102.0358 2.8 19
  103.0431 2.6 17
  104.0525 6 40
  115.0569 2.3 15
  117.0581 5.7 38
  118.0543 23.2 157
  119.0623 3.3 22
  120.0463 4.2 28
  127.0549 1.9 12
  128.0572 5 33
  129.0616 8.8 59
  131.0615 20.4 138
  132.0695 4.4 29
  138.0497 1.5 10
  139.0555 8.2 55
  140.0503 7.9 53
  141.0573 3 20
  142.0544 2.7 18
  143.062 9 61
  154.0658 6.1 41
  155.0617 10.7 72
  156.0698 32.7 222
  157.0758 4.1 27
  164.051 3.6 24
  165.0568 2.7 18
  166.0653 10.4 70
  167.068 9.5 64
  168.0692 68.3 464
  169.0773 5.1 34
  180.0686 2.1 14
  181.077 118 801
  182.0842 147 999
  183.092 116.8 793
  191.0604 4.2 28
  192.0688 25.5 173
  193.0747 1.7 11
  210.0811 3.2 21
  211.0865 29.6 201
//