ACCESSION: MSBNK-Keio_Univ-KO003907
RECORD_TITLE: Pirimicarb; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-000i-0190000000-d6d855d2686532d3fcd4
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  72.100 34653.5 1
  76.900 34653.5 1
  88.100 54455.5 1
  88.900 49505.0 1
  106.800 29703.0 1
  113.300 24752.5 1
  119.300 44554.5 1
  121.000 193069.5 5
  141.000 29703.0 1
  142.900 54455.5 1
  148.800 19802.0 1
  152.100 5252480.5 144
  157.400 539604.5 15
  160.400 39604.0 1
  162.000 39604.0 1
  162.800 24752.5 1
  164.000 19802.0 1
  164.900 9901.0 1
  171.400 34653.5 1
  174.900 59406.0 2
  177.300 465347.0 13
  179.000 410891.5 11
  182.000 227723.0 6
  190.200 341584.5 9
  193.000 24752.5 1
  193.500 19802.0 1
  195.400 64356.5 2
  202.900 163366.5 4
  204.300 460396.5 13
  207.400 262376.5 7
  221.500 163366.5 4
  222.300 1381189.5 38
  225.400 24752.5 1
  239.400 36529739.5 999
  257.300 247525.0 7
//