ACCESSION: MSBNK-Keio_Univ-KO003910
RECORD_TITLE: Pirimicarb; LC-ESI-QQ; MS2; CE:40 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 P177

CH$NAME: Pirimicarb
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈N₄O₂
CH$EXACT_MASS: 238.14298
CH$SMILES: CN(C)C(=O)Oc(n1)c(C)c(C)nc(N(C)C)1
CH$IUPAC: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3
CH$LINK: CAS 23103-98-2
CH$LINK: KEGG C11079
CH$LINK: NIKKAJI J1.871F
CH$LINK: PUBCHEM SID:13261
CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1032569

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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 239
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-9400000000-470125be6447d12b01ec
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  55.000 14851.5 2
  57.100 74257.5 10
  63.100 44554.5 6
  72.200 7574265.0 999
  78.800 84158.5 11
  80.900 19802.0 3
  83.100 178218.0 24
  85.000 564357.0 74
  88.100 34653.5 5
  93.000 44554.5 6
  106.000 24752.5 3
  106.900 84158.5 11
  109.400 410891.5 54
  114.500 14851.5 2
  116.200 34653.5 5
  117.100 39604.0 5
  125.300 34653.5 5
  129.800 54455.5 7
  135.200 2613864.0 345
  137.300 188119.0 25
  138.100 113861.5 15
  144.100 24752.5 3
  145.100 24752.5 3
  150.200 79208.0 10
  152.400 351485.5 46
  162.300 44554.5 6
  167.100 34653.5 5
  182.500 183168.5 24
//