ACCESSION: MSBNK-Keio_Univ-KO003911
RECORD_TITLE: Pirimicarb; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-00di-9300000000-c5ce3f6fe74d6d12c54e
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  55.900 59406.0 17
  68.800 34653.5 10
  72.200 3584162.0 999
  79.000 123762.5 34
  81.000 49505.0 14
  81.900 14851.5 4
  84.900 202970.5 57
  91.300 29703.0 8
  93.000 64356.5 18
  94.900 19802.0 6
  95.700 19802.0 6
  107.100 123762.5 34
  109.100 262376.5 73
  122.900 9901.0 3
  124.800 24752.5 7
  135.300 1059407.0 295
  137.100 29703.0 8
  138.200 39604.0 11
//