ACCESSION: MSBNK-Keio_Univ-KO003934
RECORD_TITLE: Phenoxybenzamine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-03xr-4900000000-ceec5505b13c9ce8a0be
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  55.300 49505.0 13
  56.900 29703.0 8
  64.700 9901.0 3
  69.000 2282180.5 605
  71.100 227723.0 60
  83.200 79208.0 21
  86.200 34653.5 9
  99.900 24752.5 7
  100.700 19802.0 5
  103.100 9901.0 3
  105.800 34653.5 9
  111.200 3767330.5 999
  111.900 49505.0 13
  113.400 173267.5 46
  120.900 495050.0 131
  123.800 14851.5 4
  127.200 123762.5 33
  128.000 29703.0 8
  130.100 54455.5 14
  132.000 49505.0 13
  138.400 19802.0 5
  142.700 79208.0 21
  147.400 34653.5 9
  152.800 34653.5 9
  155.900 49505.0 13
  160.400 44554.5 12
  197.100 44554.5 12
  198.200 118812.0 32
  228.400 118812.0 32
  287.500 9901.0 3
  304.300 153465.5 41
//