ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001221
RECORD_TITLE: 3-PARA-MENTHEN-5-YL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 3-PARA-MENTHEN-5-YL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₂
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(=O)OC(C1)C(=CCC(C)1)C(C)C
CH$IUPAC: InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h6,8-9,12H,5,7H2,1-4H3
CH$LINK: INCHIKEY UWINAUQIAJDQEK-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-6D
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-007c-6900000000-27a27da7273a51a652c4
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  18 13 130
  27 4 40
  45 13 130
  54 0.3 3
  55 1 10
  56 4 40
  67 4 40
  68 0.4 4
  69 7 70
  70 2 20
  71 16 160
  72 0.1 1
  78 4.5 45
  79 8 80
  80 33 330
  81 1.9 19
  82 6.5 65
  83 1 10
  84 2 20
  90 1.15 12
  91 36 360
  92 12.5 125
  94 52 520
  95 1.6 16
  96 4 40
  98 1.5 15
  99 2.5 25
  106 3.8 38
  107 6.5 65
  108 8 80
  109 4 40
  110 2.05 21
  111 5 50
  112 4 40
  121 78 780
  122 1.2 12
  123 50 500
  124 9 90
  137 99.99 999
  138 1.4 14
  139 49 490
  140 9 90
  153 1 10
  154 0.3 3
  155 1.5 15
  196 2 20
//