ACCESSION: MSBNK-Keio_Univ-KO009153
RECORD_TITLE: Pirimicarb; LC-ESI-IT; MS3; m/z: 239/182; [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 0.70/0.80

MS$FOCUSED_ION: PRECURSOR_M/Z 239/182
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-000i-3900000000-f9aac672d65b0406afef
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  56.2 8.99 14
  58.2 2.54 4
  61.2 1.08 2
  81.1 4.62 7
  83.1 49.92 77
  85.1 368.88 567
  86.1 67.92 104
  109.1 51.74 80
  110.2 28.14 43
  123.0 3.77 6
  137.1 649.61 999
  138.1 189.52 291
  139.0 33.78 52
  150.1 90.99 140
  151.1 20.62 32
  165.1 5.23 8
  166.1 2.23 3
  167.1 30.61 47
  168.1 34.21 53
  182.2 3.85 6
  183.2 7.62 12
  199.1 15.23 23
  201.0 15.54 24
  213.7 3.92 6
//