ACCESSION: MSBNK-Keio_Univ-KO003932
RECORD_TITLE: Phenoxybenzamine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0f7a-0895000000-3673c8967d0230876a41
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  95.700 14851.5 4
  111.300 925743.5 230
  112.200 64356.5 16
  112.800 89109.0 22
  113.900 29703.0 7
  122.800 29703.0 7
  124.100 29703.0 7
  126.600 14851.5 4
  130.300 128713.0 32
  132.000 198020.0 49
  159.000 34653.5 9
  163.900 19802.0 5
  170.000 24752.5 6
  177.300 29703.0 7
  189.300 29703.0 7
  190.200 54455.5 14
  194.900 84158.5 21
  199.400 3856439.5 960
  208.200 24752.5 6
  214.200 24752.5 6
  216.000 39604.0 10
  218.100 202970.5 51
  223.200 9901.0 2
  224.800 242574.5 60
  225.500 74257.5 18
  227.100 94059.5 23
  228.300 371287.5 92
  230.500 14851.5 4
  236.000 356436.0 89
  236.700 59406.0 15
  255.400 24752.5 6
  268.500 49505.0 12
  269.000 59406.0 15
  287.600 4014855.5 999
  304.600 3544558.0 882
//