ACCESSION: MSBNK-Keio_Univ-KO009154
RECORD_TITLE: Pirimicarb; LC-ESI-IT; MS3; m/z: 239/166; [M+H]+
DATE: 2011.12.05 (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 P177
COMMENT: [MS2] KO009151

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$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.65

MS$FOCUSED_ION: PRECURSOR_M/Z 239/166
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-014i-2900000000-0406a58a76c2716f22b4
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  71.2 1.15 13
  93.0 0.69 8
  96.1 13.66 150
  97.1 26.30 289
  98.1 2.38 26
  110.1 33.29 366
  111.1 7.92 87
  113.9 0.92 10
  121.0 2.30 25
  123.0 7.69 85
  125.1 10.12 111
  138.0 14.43 159
  139.1 7.82 86
  167.1 90.85 999
//