ACCESSION: MSBNK-Keio_Univ-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$LINK: KEGG C07436
CH$LINK: PUBCHEM SID:9640
CH$LINK: INCHIKEY QZVCTJOXCFMACW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023458

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.
  41.200 24752.5 13
  43.000 163366.5 88
  55.000 148515.0 80
  69.200 1861388.0 999
  72.000 39604.0 21
  83.000 54455.5 29
  100.200 29703.0 16
  106.200 69307.0 37
  107.100 39604.0 21
  110.300 24752.5 13
  110.900 54455.5 29
  120.100 84158.5 45
  121.200 138614.0 74
  130.100 64356.5 35
  155.900 74257.5 40
  183.500 29703.0 16
  197.300 148515.0 80
//