ACCESSION: MSBNK-BAFG-CSL231109273
RECORD_TITLE: Methyltriphenylphosphonium; LC-ESI-QTOF; MS2; 140 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$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$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$SPLASH: splash10-0zir-6900000000-f4c0910cba484db8eb26
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  51.032 6.3 246
  55.9849 2.3 90
  56.9931 6.4 250
  65.0431 4.1 160
  67.9841 2 78
  74.0172 5.5 215
  75.0275 1.9 74
  76.0326 4.6 180
  77.0409 6.1 238
  78.9756 4 156
  79.9837 12.8 501
  80.9908 15.5 607
  86.0155 3.6 141
  87.0231 4.8 188
  89.04 10.5 411
  91.9819 2.6 101
  98.016 2.8 109
  99.0219 1.4 54
  102.0459 4.8 188
  102.9731 1.3 50
  103.981 5.1 199
  104.9901 2.3 90
  107.0048 25.5 999
  113.0388 3 117
  115.0549 6.4 250
  115.9809 1.3 50
  125.0391 1.7 66
  126.0466 8.4 329
  127.9798 1.7 66
  131.0046 3.3 129
  139.0548 3.5 137
  150.047 14.4 564
  151.0548 12.7 497
  152.0619 8.2 321
  155.0053 4.1 160
  156.0102 2.7 105
  157.0209 4.8 188
  179.0034 5 195
  180.0141 4.3 168
  181.0201 9.4 368
//