ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001674
RECORD_TITLE: ISOAMYL BENZOATE; 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$NAME: ISOAMYL BENZOATE
CH$NAME: ISOPENTYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CC(C)CCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
CH$LINK: INCHIKEY MLLAPOCBLWUFAP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8047185

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$SPLASH: splash10-05fr-9500000000-2effe379809884c4562d
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 4.47 45
  28 1.63 16
  29 4.26 43
  39 3.4 34
  41 7.45 75
  42 10.64 106
  43 7.94 79
  50 2.62 26
  51 10.99 110
  55 25.96 260
  56 1.49 15
  69 3.05 31
  70 99.99 999
  71 6.03 60
  76 1.84 18
  77 38.87 389
  78 3.12 31
  79 3.19 32
  105 96.52 965
  106 7.8 78
  122 6.38 64
  123 26.38 264
  124 2.06 21
  149 0.85 9
//