ACCESSION: MSBNK-BAFG-CSL231109264
RECORD_TITLE: Methyltriphenylphosphonium; LC-ESI-QTOF; MS2; 120 V
DATE: 2023.11.09
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$NAME: Methyltriphenylphosphonium
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C₁₉H₁₈P⁺
CH$EXACT_MASS: 277.1141
CH$SMILES: C[P+](c1ccccc1)(c2ccccc2)c3ccccc3
CH$IUPAC: InChI=1S/C19H18P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3/q+1
CH$LINK: CAS 15912-74-0
CH$LINK: INCHIKEY AZFQCTBZOPUVOW-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$MASS_SPECTROMETRY: COLLISION_ENERGY 120
AC$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 7.192 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 277.1141
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1

PK$SPLASH: splash10-0zgi-2900000000-6f2c1439c8e8e6f242dd
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  51.0288 5.1 95
  56.9942 5.4 101
  65.0435 7.1 133
  74.0175 3.6 67
  76.0332 4 75
  77.0412 8.6 161
  79.9827 10.5 197
  80.9907 16.9 317
  87.0239 3.3 62
  89.0395 18.7 351
  102.0467 9.1 171
  107.005 53.1 999
  113.0385 6.6 124
  115.0539 22.2 417
  126.0467 19.3 363
  131.0042 7.2 135
  133.0206 4.1 77
  139.0548 18 338
  150.046 15 282
  151.0548 35.2 662
  152.0621 49.4 929
  155.004 4 75
  156.013 7.5 141
  157.0204 27.8 523
  180.0134 5.5 103
  181.0203 29.2 549
  183.0345 5.7 107
//