ACCESSION: MSBNK-Keio_Univ-KO009177
RECORD_TITLE: Phenoxybenzamine; LC-ESI-IT; MS3; m/z: 304/212; [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$FOCUSED_ION: PRECURSOR_M/Z 304/212
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-02ti-0930000000-21b53667dc5c7c3004dd
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  78.1 1.68 18
  79.2 2.14 23
  80.1 4.83 51
  82.2 1.46 15
  92.2 1.38 15
  94.1 1.15 12
  95.0 8.54 90
  105.1 10.82 114
  107.2 15.99 169
  118.0 71.49 756
  119.0 29.17 308
  133.1 20.45 216
  133.9 1.46 15
  135.0 89.50 946
  212.1 94.47 999
  213.1 7.09 75
//