MassBank Record: JP007721



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

ACCESSION: JP007721
RECORD_TITLE: JASMONE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: JASMONE CH$NAME: (Z)-3-METHYL-2-(2-PENTENYL)-2-CYCLOPENTEN-1-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H16O CH$EXACT_MASS: 164.12012 CH$SMILES: CCC([H])=C([H])CC(=C(C)1)C(=O)CC1 CH$IUPAC: InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h4-5H,3,6-8H2,1-2H3/b5-4- CH$LINK: CAS 488-10-8 CH$LINK: INCHIKEY XMLSXPIVAXONDL-PLNGDYQASA-N CH$LINK: COMPTOX DTXSID4047092
AC$INSTRUMENT: SHIMADZU QP-1000 AC$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$SPLASH: splash10-01r6-9600000000-b7842817d55e1ef34cd5 PK$NUM_PEAK: 75 PK$PEAK: m/z int. rel.int. 40 17.5 175 41 96.5 965 42 9.1 91 43 2.53 25 44 1.5 15 45 1 10 50 8.7 87 51 2.75 28 52 15.3 153 53 45.4 454 54 7.1 71 55 7.59 76 56 4.4 44 57 2.8 28 62 2.3 23 63 0.88 9 64 2.8 28 65 29.3 293 66 14.9 149 67 4.39 44 68 6.7 67 69 4.5 45 74 1.2 12 75 0.12 1 77 50.9 509 78 12.7 127 79 99.99 999 80 1.63 16 81 37.4 374 82 14.9 149 83 1.7 17 89 0.19 2 91 58.3 583 92 8.4 84 93 53.3 533 94 1.22 12 95 19.5 195 96 3 30 97 1.2 12 103 0.45 5 105 21.3 213 106 6.2 62 107 35.9 359 108 0.84 8 109 32.9 329 110 60.6 606 111 5 50 115 0.4 4 116 2 20 117 4.4 44 118 1.1 11 119 0.42 4 120 4.1 41 121 25.3 253 122 52.8 528 123 1.02 10 129 1.5 15 130 3.4 34 131 29.5 295 132 0.35 4 133 3.2 32 134 5.6 56 135 42 420 136 1.38 14 137 1.4 14 145 2.4 24 146 5 50 147 0.34 3 148 5.6 56 149 48.2 482 150 5.4 54 163 0.69 7 164 55.9 559 165 12.3 123 166 1.2 12 //

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