ACCESSION: MSBNK-Keio_Univ-KO003909
RECORD_TITLE: Pirimicarb; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-00di-9700000000-5696d9ea325a28ebbcff
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  59.300 29703.0 4
  62.400 74257.5 9
  70.600 59406.0 7
  72.000 8000008.0 999
  76.900 24752.5 3
  79.300 29703.0 4
  82.900 39604.0 5
  84.100 24752.5 3
  85.400 371287.5 46
  88.100 79208.0 10
  95.300 39604.0 5
  104.900 49505.0 6
  108.900 138614.0 17
  111.600 24752.5 3
  115.100 19802.0 2
  119.200 44554.5 6
  121.100 34653.5 4
  123.200 39604.0 5
  126.000 34653.5 4
  130.100 49505.0 6
  135.200 2198022.0 274
  137.200 316832.0 40
  138.500 39604.0 5
  145.000 59406.0 7
  150.200 148515.0 19
  152.200 1569308.5 196
  157.400 19802.0 2
  159.200 29703.0 4
  160.000 74257.5 9
  162.000 64356.5 8
  163.700 9901.0 1
  167.000 24752.5 3
  172.100 39604.0 5
  177.000 44554.5 6
  182.200 1891091.0 236
  195.600 89109.0 11
//