ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006408
RECORD_TITLE: TRANS-L-CARVYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TRANS-L-CARVYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂O₂
CH$EXACT_MASS: 222.16198
CH$SMILES: CCCC(=O)OC(C1)C(C)=CCC(C(C)=C)1
CH$IUPAC: InChI=1S/C14H22O2/c1-5-6-14(15)16-13-9-12(10(2)3)8-7-11(13)4/h7,12-13H,2,5-6,8-9H2,1,3-4H3/t12-,13+/m1/s1
CH$LINK: INCHIKEY NFYWZJFDZXGDJZ-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$SPLASH: splash10-0006-9600000000-453ce46380b28b2a3038
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  27 19.08 191
  28 1.05 11
  29 10.03 100
  39 18.63 186
  40 2.96 30
  41 41.07 411
  42 4.07 41
  43 79.46 795
  44 2.44 24
  45 1.06 11
  51 3.31 33
  52 1.77 18
  53 12.81 128
  54 2.52 25
  55 18.13 181
  56 1.41 14
  63 1.07 11
  65 6.57 66
  66 2.41 24
  67 8.27 83
  68 3.72 37
  69 3.47 35
  71 99.99 999
  72 4.15 42
  77 19.84 198
  78 6.5 65
  79 19.41 194
  80 7.5 75
  81 6.88 69
  82 3.53 35
  83 3.06 31
  84 10.21 102
  89 1.31 13
  91 34.39 344
  92 27.23 272
  93 36.22 362
  94 5.67 57
  95 3.15 32
  96 5.3 53
  97 2.26 23
  103 2.07 21
  104 1.33 13
  105 24.57 246
  106 12.07 121
  107 19.39 194
  108 11.7 117
  109 70.57 706
  110 6.52 65
  115 1.69 17
  117 3.22 32
  119 77.71 777
  120 8.49 85
  121 1.24 12
  123 2.59 26
  124 1.88 19
  133 3.46 35
  134 31.28 313
  135 8.99 90
  137 4.23 42
  151 1.15 12
  152 82.22 822
  153 10.86 109
  154 1.57 16
  178 1.64 16
  179 10.96 110
  180 1.1 11
  222 2.36 24
//