MassBank Record: JP006936



 ALPHA-IONOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP006936
RECORD_TITLE: ALPHA-IONOL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA SGUNMA COLLEGE OF TECHNOLOGY, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-IONOL CH$NAME: 3-(3-HYDROXY-1-BUTENYL)-2,4,4-TRIMETHYL-1-CYCLOHEXENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H22O CH$EXACT_MASS: 194.16707 CH$SMILES: CC(O)C=CC(C(C)=1)C(C)(C)CCC1 CH$IUPAC: InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7+ CH$LINK: INCHIKEY PWDOJWCZWKWKSE-BQYQJAHWSA-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$SPLASH: splash10-0005-9200000000-79a43e185c1f45743976 PK$NUM_PEAK: 57 PK$PEAK: m/z int. rel.int. 18 1.24 12 27 8.47 85 28 1.22 12 29 7.91 79 31 1.01 10 39 10.24 102 40 1.61 16 41 22.27 223 42 1.19 12 43 55.13 551 44 1.3 13 45 7.72 77 51 2.29 23 52 1.16 12 53 8.11 81 54 1.02 10 55 12.33 123 56 4.83 48 57 2.16 22 58 1.24 12 65 4.6 46 66 1.34 13 67 9.04 90 68 5.31 53 69 4.78 48 71 2.85 29 77 12.33 123 78 2.67 27 79 14.52 145 80 10.14 101 81 14.9 149 82 1.64 16 83 1.06 11 91 12.86 129 92 3.25 33 93 14.79 148 94 7.62 76 95 99.99 999 96 13.33 133 97 1.25 13 105 8.12 81 106 1.19 12 107 7.02 70 108 1.5 15 109 8.77 88 119 2.28 23 120 4.34 43 121 7.35 74 122 1.14 11 123 14.17 142 124 1.17 12 135 1.2 12 136 1.04 10 138 41.28 413 139 4.71 47 161 1.52 15 194 2.07 21 //