ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001220
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$LINK: INCHIKEY UWINAUQIAJDQEK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:24976061
AC$INSTRUMENT: HITACHI RMU-6D
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9300000000-1e8123d56eb2494a0e82
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  15 6 60
  17 16 160
  18 45 450
  27 1.8 18
  28 22 220
  29 14 140
  39 14 140
  40 0.15 2
  41 42 420
  42 5 50
  43 99.99 999
  44 0.3 3
  53 10 100
  54 2 20
  55 19 190
  56 0.6 6
  57 8 80
  64 4 40
  65 1 10
  67 2 20
  68 8 80
  69 21 210
  70 4 40
  71 2 20
  78 11 110
  79 2 20
  80 17.5 175
  81 0.4 4
  82 40 400
  83 16 160
  84 8 80
  85 0.05 1
  86 2 20
  87 0.5 5
  91 11 110
  92 0.8 8
  93 53 530
  94 12 120
  95 55 550
  96 1.4 14
  97 6 60
  105 5 50
  107 36.5 365
  108 0.75 8
  109 10 100
  110 2 20
  111 23 230
  112 0.5 5
  121 63 630
  122 7 70
  123 20 200
  137 5.8 58
  138 10 100
  139 33 330
  140 11.5 115
  153 0.1 1
  154 2 20
  196 1.5 15
//
