ACCESSION: MSBNK-Keio_Univ-KO003908
RECORD_TITLE: Pirimicarb; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0fer-4950000000-e0b3429651b4ba53949d
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  57.000 49505.0 9
  62.700 94059.5 16
  72.100 4019806.0 704
  76.800 44554.5 8
  80.800 44554.5 8
  82.000 14851.5 3
  85.000 24752.5 4
  88.200 103960.5 18
  89.100 29703.0 5
  90.300 14851.5 3
  95.200 19802.0 3
  97.200 9901.0 2
  98.700 29703.0 5
  104.800 54455.5 10
  119.300 39604.0 7
  120.100 29703.0 5
  120.800 69307.0 12
  125.200 29703.0 5
  134.800 113861.5 20
  135.300 257426.0 45
  138.900 19802.0 3
  141.100 24752.5 4
  148.500 14851.5 3
  152.200 4024756.5 705
  153.000 44554.5 8
  157.100 311881.5 55
  158.200 19802.0 3
  160.100 79208.0 14
  162.000 128713.0 23
  162.500 9901.0 2
  164.200 49505.0 9
  166.400 34653.5 6
  176.000 34653.5 6
  177.400 118812.0 21
  179.300 79208.0 14
  182.300 3633667.0 637
  190.400 168317.0 29
  194.000 39604.0 7
  195.300 371287.5 65
  204.200 336634.0 59
  221.300 103960.5 18
  222.400 133663.5 23
  239.400 5702976.0 999
  257.500 34653.5 6
//