ACCESSION: MSBNK-Keio_Univ-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$LINK: KEGG C07436
CH$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 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.
  43.100 128713.0 41
  55.000 242574.5 77
  63.100 24752.5 8
  69.300 3148518.0 999
  71.200 173267.5 55
  83.400 103960.5 33
  83.800 24752.5 8
  87.900 19802.0 6
  91.700 34653.5 11
  99.400 24752.5 8
  101.900 24752.5 8
  108.800 14851.5 5
  111.200 643565.0 204
  113.300 64356.5 20
  119.900 168317.0 53
  121.300 346535.0 110
  124.800 14851.5 5
  129.900 54455.5 17
  143.000 19802.0 6
  155.800 69307.0 22
  183.100 24752.5 8
  197.200 113861.5 36
  198.300 64356.5 20
  228.700 14851.5 5
//