ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001820
RECORD_TITLE: PENTYL 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$NAME: PENTYL BENZOATE
CH$NAME: BENZOIC ACID PENTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₆O₂
CH$EXACT_MASS: 192.11503
CH$SMILES: CCCCCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
CH$LINK: INCHIKEY QKNZNUNCDJZTCH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2051849

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$SPLASH: splash10-05i0-8900000000-2b924112cb980b22a08c
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 3.97 40
  29 4.48 45
  39 4.03 40
  41 9.6 96
  42 15.36 154
  43 6.33 63
  50 4.73 47
  51 20.79 208
  52 1.34 13
  55 20.22 202
  69 4.22 42
  70 36.98 370
  71 2.11 21
  76 3.07 31
  77 63.98 640
  78 5.12 51
  79 10.75 108
  105 99.99 999
  106 8 80
  122 17.79 178
  123 85.41 854
  124 6.4 64
  192 1.09 11
//