ACCESSION: MSBNK-Keio_Univ-KO004138
RECORD_TITLE: Tolazoline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T030

CH$NAME: Tolazoline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂N₂
CH$EXACT_MASS: 160.10005
CH$SMILES: c(c2)ccc(c2)CC(N1)=NCC1
CH$IUPAC: InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
CH$LINK: KEGG C08199
CH$LINK: INCHIKEY JIVZKJJQOZQXQB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3023683

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$FOCUSED_ION: PRECURSOR_M/Z 161
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-0900000000-03a59847388e2e741709
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  44.100 381188.5 1
  60.800 14851.5 1
  68.800 24752.5 1
  69.900 19802.0 1
  72.000 44554.5 1
  73.600 34653.5 1
  74.100 39604.0 1
  83.100 49505.0 1
  84.200 44554.5 1
  85.200 34653.5 1
  87.000 54455.5 1
  87.900 44554.5 1
  91.100 2163368.5 4
  97.800 94059.5 1
  101.100 59406.0 1
  101.600 14851.5 1
  102.700 183168.5 1
  104.600 64356.5 1
  106.000 188119.0 1
  107.800 54455.5 1
  115.000 59406.0 1
  115.200 44554.5 1
  117.000 168317.0 1
  118.200 168317.0 1
  120.300 34653.5 1
  125.900 202970.5 1
  129.200 29703.0 1
  130.300 34653.5 1
  131.900 980199.0 2
  132.900 326733.0 1
  142.900 69307.0 1
  144.100 391089.5 1
  146.400 19802.0 1
  159.100 123762.5 1
  160.200 376238.0 1
  161.200 590243164.5 999
//