ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008484
RECORD_TITLE: PROPYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: PROPYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: CCCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
CH$LINK: INCHIKEY UDEWPOVQBGFNGE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4044878

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0adi-6900000000-c444962e468bef6ef5f8
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 11.04 110
  29 4.51 45
  39 5.75 58
  41 7.3 73
  42 2.34 23
  43 2.44 24
  50 8.2 82
  51 24.31 243
  52 1.33 13
  59 1.43 14
  74 1.56 16
  75 1.53 15
  76 2.7 27
  77 52.75 528
  78 3.89 39
  79 2.7 27
  105 99.99 999
  106 8.44 84
  122 23.86 239
  123 38.31 383
  124 2.33 23
  135 1.19 12
  164 1.4 14
//