MassBank Record: JP010682

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T-MUUROLOL; EI-B; MS
Mass Spectrum
Chemical Structure
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metabolomics-usi visualisation

ACCESSION: JP010682
RECORD_TITLE: T-MUUROLOL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: T-MUUROLOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H26O CH$EXACT_MASS: 222.19837 CH$SMILES: CC(C2)=CC([H])(C([H])(C(C)C)1)C([H])(C2)C(C)(O)CC1 CH$IUPAC: InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14-,15-/m0/s1 CH$LINK: INCHIKEY LHYHMMRYTDARSZ-AJNGGQMLSA-N CH$LINK: COMPTOX DTXSID10173698
AC$INSTRUMENT: HITACHI RMU-6L AC$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$SPLASH: splash10-0nmm-9720000000-d61b008e19718e3ffe74 PK$NUM_PEAK: 67 PK$PEAK: m/z int. rel.int. 41 30 300 42 3 30 43 80 800 44 0.3 3 53 20 200 54 1.5 15 55 23 230 56 0.3 3 57 6.5 65 58 21 210 59 5 50 65 0.5 5 67 15 150 68 4 40 69 28 280 70 0.5 5 71 38 380 77 16 160 78 4 40 79 3.1 31 80 11 110 82 35 350 83 12 120 91 2.1 21 92 13 130 93 29 290 94 37 370 95 99.99 999 96 16 160 97 5 50 105 37 370 106 0.8 8 107 14 140 108 19 190 109 37 370 110 0.7 7 111 4 40 119 25 250 120 8 80 121 7.7 77 122 15 150 123 12 120 127 12 120 133 0.9 9 134 10 100 135 11 110 136 5 50 137 1.3 13 138 5 50 145 5 50 147 8 80 148 0.8 8 149 11 110 150 6 60 151 11 110 152 1.3 13 161 72 720 162 14 140 164 52 520 165 0.9 9 179 14 140 189 14 140 204 82 820 205 1.8 18 207 8 80 222 31.5 315 223 7 70 //