ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001796
RECORD_TITLE: ISOPROPYL 4-CYANOBENZOATE; 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$NAME: ISOPROPYL 4-CYANOBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₁NO₂
CH$EXACT_MASS: 189.07898
CH$SMILES: N#Cc(c1)ccc(c1)C(=O)OC(C)C
CH$IUPAC: InChI=1S/C11H11NO2/c1-8(2)14-11(13)10-5-3-9(7-12)4-6-10/h3-6,8H,1-2H3
CH$LINK: INCHIKEY NFNBGZCLCQVHRY-UHFFFAOYSA-N

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$SPLASH: splash10-001l-4900000000-cf63cb13e9f9f5cba855
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 6.49 65
  29 9.86 99
  34 1.16 12
  39 4.35 44
  40 21.16 212
  41 11.3 113
  42 17.1 171
  43 22.32 223
  44 3.19 32
  50 4.06 41
  51 5.8 58
  52 1.16 12
  74 1.16 12
  75 8.12 81
  76 5.22 52
  102 30.14 301
  103 6.09 61
  104 3.19 32
  130 99.99 999
  131 12.17 122
  147 4.06 41
  148 53.91 539
  149 5.8 58
  171 0.88 9
  174 4.06 41
  189 5.91 59
  190 0.88 9
//