ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007168
RECORD_TITLE: TRANS-L-CARVYL ISOBUTYRATE; 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$NAME: TRANS-L-CARVYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂O₂
CH$EXACT_MASS: 222.16198
CH$SMILES: CC(C)C(=O)OC(C1)C(C)=CCC(C(C)=C)1
CH$IUPAC: InChI=1S/C14H22O2/c1-9(2)12-7-6-11(5)13(8-12)16-14(15)10(3)4/h6,10,12-13H,1,7-8H2,2-5H3/t12-,13+/m1/s1
CH$LINK: INCHIKEY FCZDTLWQNRALDC-OLZOCXBDSA-N

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$SPLASH: splash10-0006-9500000000-ae19943fbfb51e93cec5
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  27 14.71 147
  29 6.04 60
  39 16.41 164
  40 3.14 31
  41 34.03 340
  42 3.67 37
  43 99.99 999
  44 3.19 32
  51 3.13 31
  52 1.62 16
  53 10.51 105
  54 2.36 24
  55 17.12 171
  56 1.31 13
  65 5.39 54
  66 2.08 21
  67 6.69 67
  68 2.97 30
  69 3.38 34
  70 1.19 12
  71 72.17 722
  72 3.59 36
  77 16.47 165
  78 4.81 48
  79 16.47 165
  80 5.34 53
  81 6.01 60
  82 2.98 30
  83 2.33 23
  84 5.63 56
  91 27.38 274
  92 20.08 201
  93 38.24 382
  94 4.83 48
  95 3.21 32
  96 1.99 20
  97 1.88 19
  103 1.46 15
  105 17.83 178
  106 9.17 92
  107 21.09 211
  108 7.35 74
  109 34.93 349
  110 3.21 32
  115 1.09 11
  117 2.58 26
  119 57.34 573
  120 6.9 69
  123 1.55 16
  133 2.83 28
  134 24.51 245
  135 8.6 86
  137 1.74 17
  151 1.16 12
  152 50.39 504
  153 7.31 73
  178 1.43 14
  179 10.67 107
  180 1.06 11
  222 1.72 17
//