MassBank Record: KO003909

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Pirimicarb; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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: COMPTOX DTXSID1032569
CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N
CH$LINK: KEGG C11079
CH$LINK: NIKKAJI J1.871F
CH$LINK: PUBCHEM SID:13261

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.
  59.3 29703.0 4.0
  62.4 74257.5 9.0
  70.6 59406.0 7.0
  72.0 8000010.0 999.0
  76.9 24752.5 3.0
  79.3 29703.0 4.0
  82.9 39604.0 5.0
  84.1 24752.5 3.0
  85.4 371288.0 46.0
  88.1 79208.0 10.0
  95.3 39604.0 5.0
  104.9 49505.0 6.0
  108.9 138614.0 17.0
  111.6 24752.5 3.0
  115.1 19802.0 2.0
  119.2 44554.5 6.0
  121.1 34653.5 4.0
  123.2 39604.0 5.0
  126.0 34653.5 4.0
  130.1 49505.0 6.0
  135.2 2198020.0 274.0
  137.2 316832.0 40.0
  138.5 39604.0 5.0
  145.0 59406.0 7.0
  150.2 148515.0 19.0
  152.2 1569310.0 196.0
  157.4 19802.0 2.0
  159.2 29703.0 4.0
  160.0 74257.5 9.0
  162.0 64356.5 8.0
  163.7 9901.0 1.0
  167.0 24752.5 3.0
  172.1 39604.0 5.0
  177.0 44554.5 6.0
  182.2 1891090.0 236.0
  195.6 89109.0 11.0
//