ACCESSION: MSBNK-Keio_Univ-KO003933
RECORD_TITLE: Phenoxybenzamine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-03di-0900000000-98def3e273fb8185a744
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  69.100 292079.5 46
  70.900 108911.0 17
  89.000 54455.5 9
  100.800 19802.0 3
  107.400 29703.0 5
  109.100 19802.0 3
  110.100 49505.0 8
  111.300 6346541.0 999
  112.200 99010.0 16
  113.400 217822.0 34
  113.800 24752.5 4
  120.500 69307.0 11
  126.700 84158.5 13
  130.100 133663.5 21
  131.800 103960.5 16
  137.800 14851.5 2
  142.300 79208.0 12
  147.400 29703.0 5
  160.100 39604.0 6
  198.200 24752.5 4
  199.400 1663368.0 262
  208.300 9901.0 2
  224.900 19802.0 3
  227.200 79208.0 12
  228.100 262376.5 41
  236.300 103960.5 16
  237.100 29703.0 5
  269.700 19802.0 3
  272.200 64356.5 10
  287.400 133663.5 21
  304.800 925743.5 146
//