ACCESSION: MSBNK-Keio_Univ-KO009178
RECORD_TITLE: Phenoxybenzamine; LC-ESI-IT; MS3; m/z: 304/120; [M+H]+
DATE: 2012.10.22 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P206
COMMENT: [MS2] KO009176

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$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.80/0.60

MS$FOCUSED_ION: PRECURSOR_M/Z 304/120
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-01po-9100000000-bfaebd336cb8d882d860
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  56.2 60.47 164
  57.3 11.25 30
  58.2 93.81 254
  59.1 7.99 22
  63.1 328.25 890
  67.2 60.93 165
  70.2 13.92 38
  78.1 65.92 179
  84.1 254.67 690
  85.1 10.57 29
  91.1 42.34 115
  92.1 368.61 999
  119.0 6.33 17
  120.0 126.40 343
  121.1 7.51 20
  131.2 12.77 35
  176.5 1.42 4
  187.1 2.33 6
  232.7 3.59 10
  346.8 13.34 36
//