ACCESSION: MSBNK-BAFG-CSL2311108968
RECORD_TITLE: N-[4-(1H-benzimidazol-2-yl)phenyl]-N,N-dimethylamine; LC-ESI-QTOF; MS2; 130 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$NAME: N-[4-(1H-benzimidazol-2-yl)phenyl]-N,N-dimethylamine
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C₁₅H₁₅N₃
CH$EXACT_MASS: 237.1266
CH$SMILES: CN(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2
CH$IUPAC: InChI=1S/C15H15N3/c1-18(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)17-15/h3-10H,1-2H3,(H,16,17)
CH$LINK: CAS 2562-71-2
CH$LINK: INCHIKEY ZKBBGUJBGLTNEK-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$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$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 6.517 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 238.1339
MS$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$SPLASH: splash10-02br-9600000000-cec663bccb5a4db2fa46
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  52.0285 5.2 205
  64.0374 5.6 221
  65.0287 0.5 19
  65.0461 25.3 999
  74.0202 7.4 292
  75.0276 8.6 339
  76.0239 5.9 232
  77.0438 6.9 272
  85.0112 0.5 19
  86.0191 2.1 82
  87.0265 4.6 181
  88.0303 3.2 126
  89.042 15.9 627
  90.0364 1.9 75
  91.0445 3.4 134
  92.0527 2.5 98
  98.0193 1.2 47
  99.0248 1 39
  100.0199 0.5 19
  102.0361 3.9 153
  104.05 0.6 23
  111.0248 0.8 31
  112.0228 1.2 47
  113.0405 6.5 256
  114.0365 1.9 75
  115.0559 2.4 94
  116.0482 0.9 35
  118.054 0.7 27
  126.0473 0.7 27
  129.046 0.5 19
  137.0396 5.3 209
  138.0431 6.2 244
  139.0539 9.6 379
  140.0509 5.9 232
  142.0538 0.6 23
  143.0606 0.8 31
  153.0459 0.8 31
  163.0484 0.8 31
  164.0494 14.4 568
  165.0507 3.4 134
  166.0654 2.1 82
  167.0641 1.2 47
  189.0457 0.6 23
  190.0516 0.5 19
  191.0627 2.7 106
  192.0686 2.2 86
//