MassBank Record: JP006409

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TERPINYL BUTYRATE; EI-B; MS
Mass Spectrum
Chemical Structure
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ACCESSION: JP006409
RECORD_TITLE: TERPINYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TERPINYL BUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H24O2 CH$EXACT_MASS: 224.17763 CH$SMILES: CCCC(=O)OC(C)(C)C([H])(C1)CC=C(C)C1 CH$IUPAC: InChI=1S/C14H24O2/c1-5-6-13(15)16-14(3,4)12-9-7-11(2)8-10-12/h7,12H,5-6,8-10H2,1-4H3/t12-/m0/s1 CH$LINK: INCHIKEY LWKWNIYBQLKBMQ-LBPRGKRZSA-N
AC$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: splash10-0076-9500000000-a12ab74e1c6ec7dd4e83 PK$NUM_PEAK: 50 PK$PEAK: m/z int. rel.int. 27 12.12 121 29 6.43 64 31 1.69 17 39 8.23 82 40 2.07 21 41 34.02 340 42 3.75 38 43 54.1 541 44 1.92 19 45 1.2 12 51 1.8 18 52 1.12 11 53 7.39 74 54 1.15 12 55 7.63 76 59 4.38 44 60 2 20 65 2.85 29 66 1.32 13 67 13.36 134 68 8.41 84 69 9.99 100 71 59.52 595 72 2.58 26 73 1.07 11 77 7.71 77 78 2.08 21 79 13.29 133 80 6.42 64 81 27.28 273 82 2.27 23 91 7.27 73 92 17.09 171 93 67.07 671 95 9.79 98 105 3.48 35 106 1.01 10 107 10.01 100 108 5.87 59 109 1.19 12 119 1.1 11 121 99.99 999 122 8.73 87 123 2.17 22 129 1.36 14 136 75.44 754 137 21.45 215 138 1.73 17 139 1.5 15 209 1.84 18 //