ACCESSION: MSBNK-BAFG-CSL231109270
RECORD_TITLE: Methyltriphenylphosphonium; LC-ESI-QTOF; MS2; 150 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$MASS_SPECTROMETRY: COLLISION_ENERGY 150
AC$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$SPLASH: splash10-0pe9-9800000000-8904a4504c555f96ad88
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  51.0305 5.7 351
  55.9871 2.7 166
  56.9935 7 431
  65.042 3.3 203
  67.9845 2.3 141
  74.0176 6.6 407
  75.0258 2.1 129
  76.0328 4.3 265
  77.0403 4.1 252
  78.0491 1.4 86
  78.974 4.1 252
  79.9829 13.5 832
  80.9901 15.7 968
  86.0153 4.4 271
  87.0229 5.3 326
  89.0388 7.5 462
  91.9825 2.9 178
  98.016 4.7 289
  99.0218 1.9 117
  102.046 2.6 160
  102.9714 2 123
  103.9818 5.1 314
  104.9886 2.2 135
  107.0039 16.2 999
  113.0372 2.6 160
  115.0536 3.2 197
  115.9801 1.6 98
  125.0373 0.9 55
  126.047 6.3 388
  127.9824 1.7 104
  131.0029 2.5 154
  139.0526 1.9 117
  150.0457 10.7 659
  151.0546 6.6 407
  152.0599 4 246
  155.0048 3.5 215
  156.0119 1.3 80
  157.0204 2.5 154
  179.0038 4.2 259
  180.0122 3 185
  181.0192 4.2 259
//