ACCESSION: MSBNK-BAFG-CSL2311108787
RECORD_TITLE: 2-(2-Hydroxyphenyl)-1H-benzimidazole; LC-ESI-QTOF; MS2; 80 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$MASS_SPECTROMETRY: COLLISION_ENERGY 80
AC$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$SPLASH: splash10-005c-4900000000-ace3f50c6b83f5bc0278
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  52.0293 0.6 30
  64.0372 2.7 138
  74.0216 1.3 66
  75.0283 4.2 215
  76.0233 0.9 46
  76.036 3.2 163
  77.0446 19.5 999
  78.0411 2.5 128
  80.0539 0.6 30
  87.0278 1.3 66
  88.0343 2 102
  89.0411 3.9 199
  90.0399 2.5 128
  91.0452 7.2 368
  92.0533 7.2 368
  101.0418 1.8 92
  102.0377 6.9 353
  103.0429 6.5 333
  104.0532 2.4 122
  113.0411 3.3 169
  114.0421 2.5 128
  115.0506 2 102
  116.0554 1.2 61
  117.0546 1.4 71
  118.0545 3.2 163
  119.0606 1.2 61
  126.0487 1.5 76
  127.0562 5.2 266
  128.0524 5.9 302
  129.0524 3.7 189
  130.042 1 51
  131.0622 3.7 189
  132.0688 0.6 30
  137.0395 2.7 138
  138.0429 3 153
  139.0556 4.1 210
  140.0504 5.1 261
  141.0608 0.6 30
  142.0546 1.4 71
  143.0631 2.9 148
  153.0596 0.9 46
  154.0654 5.1 261
  155.0607 4.9 251
  156.0687 2.8 143
  164.0496 10.8 553
  165.0474 1.8 92
  166.057 0.8 40
  167.0576 1.4 71
  168.0693 1.3 66
  179.0622 2.8 143
  180.0685 4 204
  181.0763 16.9 865
  182.0822 1.5 76
  191.0644 1.5 76
//