ACCESSION: MSBNK-Keio_Univ-KO009152
RECORD_TITLE: Pirimicarb; LC-ESI-IT; MS3; m/z: 239/195; [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$FOCUSED_ION: PRECURSOR_M/Z 239/195
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0udi-0900000000-7ae141d8cbb90016edbe
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  70.2 1.92 2
  84.1 9.22 9
  107.0 10.31 10
  109.1 137.10 134
  110.1 26.07 25
  123.1 10.68 10
  125.1 4.08 4
  126.1 5.92 6
  133.1 1.77 2
  137.1 1.92 2
  138.1 2.00 2
  150.1 1024.37 999
  151.1 280.87 274
  152.1 24.14 24
  164.3 2.38 2
  165.1 8.54 8
  167.9 7.62 7
  180.1 22.99 22
  181.2 23.53 23
  195.1 7.54 7
  196.2 111.64 109
//