MassBank Record: KO003935

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Phenoxybenzamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003935
RECORD_TITLE: Phenoxybenzamine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-014i-9300000000-29e37d7a44c124a9cbf6
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  43.1 128713.0 41.0
  55.0 242574.0 77.0
  63.1 24752.5 8.0
  69.3 3148520.0 999.0
  71.2 173268.0 55.0
  83.4 103960.0 33.0
  83.8 24752.5 8.0
  87.9 19802.0 6.0
  91.7 34653.5 11.0
  99.4 24752.5 8.0
  101.9 24752.5 8.0
  108.8 14851.5 5.0
  111.2 643565.0 204.0
  113.3 64356.5 20.0
  119.9 168317.0 53.0
  121.3 346535.0 110.0
  124.8 14851.5 5.0
  129.9 54455.5 17.0
  143.0 19802.0 6.0
  155.8 69307.0 22.0
  183.1 24752.5 8.0
  197.2 113862.0 36.0
  198.3 64356.5 20.0
  228.7 14851.5 5.0
//