ACCESSION: MSBNK-BAFG-CSL231109263
RECORD_TITLE: Methyltriphenylphosphonium; LC-ESI-QTOF; MS2; 130 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$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$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 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$SPLASH: splash10-0zgi-4900000000-27cb9abef9f379655851
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  51.0283 4.8 142
  55.9876 2.4 71
  56.9946 5.4 160
  65.0425 4.9 145
  67.9842 2 59
  74.0167 3.9 115
  76.0329 3.8 112
  77.041 7 207
  78.0471 1.8 53
  78.9759 2.9 85
  79.9821 10.7 317
  80.9907 14.5 429
  86.0173 1.9 56
  87.0234 4.1 121
  89.0393 14.4 426
  91.9805 1.7 50
  98.0145 3 88
  102.0461 6 177
  103.9791 4 118
  104.9894 1.9 56
  107.0043 33.7 999
  113.0387 4.8 142
  115.0539 10.5 311
  125.0382 2.3 68
  126.0461 14.4 426
  131.0031 5.1 151
  133.0207 1.7 50
  139.0532 8.2 243
  150.0457 15.5 459
  151.0536 21.5 637
  152.0618 20.3 601
  155.0024 3.8 112
  156.0134 4.9 145
  157.0207 13.4 397
  179.0046 3.6 106
  180.0114 4.6 136
  181.0196 15.5 459
//