ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001794
RECORD_TITLE: ISOPROPYL 4-CYANOBENZOATE (D6); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ISOPROPYL 4-CYANOBENZOATE (D6)
CH$NAME: (2,2,2,3,3,3-2H6)ISOPROPYL 4-CYANOBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₁NO₂
CH$EXACT_MASS: 189.07898
CH$SMILES: N#Cc(c1)ccc(c1)C(=O)OC(C([2H])([2H])[2H])C([2H])([2H])[2H]
CH$IUPAC: InChI=1S/C11H11NO2/c1-8(2)14-11(13)10-5-3-9(7-12)4-6-10/h3-6,8H,1-2H3/i1D3,2D3
CH$LINK: INCHIKEY NFNBGZCLCQVHRY-WFGJKAKNSA-N
CH$LINK: PUBCHEM CID:101624453

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f89-5900000000-d7b8f9c164f88da4b554
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  40 3.42 34
  42 1.61 16
  44 1.94 19
  45 8.07 81
  46 9.17 92
  47 16.09 161
  48 1.94 19
  49 30.36 304
  50 5.36 54
  51 7.11 71
  65 31.52 315
  74 1.49 15
  75 9.82 98
  76 5.94 59
  102 32.43 324
  103 5.49 55
  104 1.29 13
  106 0.84 8
  130 99.99 999
  131 14.21 142
  132 0.8 8
  148 3.17 32
  149 1.94 19
  150 38.11 381
  151 3.23 32
  177 4.52 45
  195 8.66 87
  196 0.65 7
//