ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001218
RECORD_TITLE: 1-PARA-MENTHEN-3-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$NAME: 1-PARA-MENTHEN-3-YL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O2
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(=O)OC(C=1)C(CCC(C)1)C(C)C
CH$IUPAC: InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h7-8,11-12H,5-6H2,1-4H3
CH$LINK: INCHIKEY NADGBBLSBLDJEH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70923378
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$SPLASH: splash10-006t-9300000000-b9ef0d50e24a36ee4c6b
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  15 4.5 45
  17 1 10
  18 5 50
  27 1.8 18
  28 11 110
  29 14 140
  31 2 20
  40 1.5 15
  41 3 30
  42 50 500
  43 6 60
  44 8.8 88
  45 4 40
  46 2 20
  51 3 30
  52 0.1 1
  53 11 110
  54 7 70
  55 39 390
  56 1.15 12
  57 18 180
  58 2 20
  59 2 20
  61 1 10
  63 0.05 1
  65 4 40
  67 0.5 5
  68 23 230
  69 1.4 14
  70 32 320
  71 7 70
  72 53 530
  73 0.4 4
  77 14 140
  78 13 130
  79 11 110
  80 6.4 64
  81 35 350
  82 15 150
  83 8 80
  84 0.75 8
  85 3 30
  91 12 120
  92 8 80
  93 4.5 45
  94 16 160
  95 99.99 999
  96 30 300
  97 0.6 6
  99 3 30
  100 0.5 5
  105 1 10
  106 0.2 2
  108 10 100
  109 8 80
  110 4 40
  111 0.2 2
  112 5 50
  118 3 30
  120 12 120
  122 3.35 34
  123 3 30
  128 64 640
  136 9 90
  137 0.4 4
  138 64 640
  139 9 90
  140 0.5 5
  141 0.15 2
  154 0.5 5
  155 0.5 5
  156 2.5 25
  157 0.1 1
  158 1.5 15
//
