MassBank Record: KO003936

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Phenoxybenzamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003936
RECORD_TITLE: Phenoxybenzamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P206

CH$NAME: Phenoxybenzamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H22ClNO
CH$EXACT_MASS: 303.139
CH$SMILES: CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2
CH$IUPAC: InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
CH$LINK: COMPTOX DTXSID0023458
CH$LINK: INCHIKEY QZVCTJOXCFMACW-UHFFFAOYSA-N
CH$LINK: KEGG C07436
CH$LINK: PUBCHEM SID:9640

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE: MS2
AC$MASS_SPECTROMETRY: ION_MODE: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 304
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014i-9200000000-770072518eae302b1633
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41.2 24752.5 13.0
  43.0 163366.0 88.0
  55.0 148515.0 80.0
  69.2 1861390.0 999.0
  72.0 39604.0 21.0
  83.0 54455.5 29.0
  100.2 29703.0 16.0
  106.2 69307.0 37.0
  107.1 39604.0 21.0
  110.3 24752.5 13.0
  110.9 54455.5 29.0
  120.1 84158.5 45.0
  121.2 138614.0 74.0
  130.1 64356.5 35.0
  155.9 74257.5 40.0
  183.5 29703.0 16.0
  197.3 148515.0 80.0
//