ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009065
RECORD_TITLE: BENZYL HEPTANOATE; 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$NAME: BENZYL HEPTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₀O₂
CH$EXACT_MASS: 220.14633
CH$SMILES: CCCCCCC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C14H20O2/c1-2-3-4-8-11-14(15)16-12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
CH$LINK: INCHIKEY UEDDAJQIHUEZCJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20202963

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$SPLASH: splash10-0006-9200000000-51f5bd61cbb4775a4ecb
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  27 9.89 99
  28 4.54 45
  29 11.07 111
  39 10.09 101
  41 17.79 178
  42 3.53 35
  43 29.1 291
  50 1.2 12
  51 4.94 49
  52 1.52 15
  53 1.28 13
  55 7.2 72
  56 1.37 14
  57 3.8 38
  63 2.24 22
  65 13.36 134
  69 6.07 61
  77 7.59 76
  78 1.76 18
  79 7.06 71
  83 8.51 85
  85 5.72 57
  87 1 10
  89 3.86 39
  90 9.54 95
  91 99.99 999
  92 20.03 200
  93 1.18 12
  105 2.08 21
  107 4.87 49
  108 45.54 455
  109 3.4 34
  111 5.9 59
  113 9.11 91
  129 5.9 59
  220 2.68 27
//