ACCESSION: MSBNK-Keio_Univ-KO004137
RECORD_TITLE: Tolazoline; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-03di-0900000000-692cb3b89bff443fa65f
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  70.900 14851.5 1
  74.300 14851.5 1
  76.200 19802.0 1
  83.000 29703.0 1
  87.000 34653.5 1
  91.200 153465.5 1
  97.700 19802.0 1
  101.200 54455.5 1
  106.900 19802.0 1
  114.800 143564.5 1
  125.400 24752.5 1
  126.100 113861.5 1
  128.800 232673.5 1
  133.300 24752.5 1
  140.800 59406.0 1
  143.100 183168.5 1
  144.200 1500001.5 2
  161.300 977283155.5 999
//