MassBank Record: JP001949



 2,2,7,7-TETRAMETHYL-4-METHYLENECYCLOHEPTANONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001949
RECORD_TITLE: 2,2,7,7-TETRAMETHYL-4-METHYLENECYCLOHEPTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 2,2,7,7-TETRAMETHYL-4-METHYLENECYCLOHEPTANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H20O CH$EXACT_MASS: 180.15142 CH$SMILES: C=C(C1)CC(C)(C)C(=O)C(C)(C)C1 CH$IUPAC: InChI=1S/C12H20O/c1-9-6-7-11(2,3)10(13)12(4,5)8-9/h1,6-8H2,2-5H3
AC$INSTRUMENT: JEOL JMS-D-3000 AC$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$SPLASH: splash10-053s-9400000000-9c648ed150436c221836 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 41 36.17 362 43 13.61 136 53 9.36 94 55 21.27 213 56 13.61 136 57 4.68 47 67 22.12 221 68 12.34 123 69 15.31 153 77 7.23 72 79 3.82 38 81 99.99 999 82 20.85 209 83 9.78 98 93 4.25 43 95 39.14 391 96 71.06 711 97 5.95 60 108 8.93 89 109 74.89 749 110 9.36 94 111 8.08 81 124 21.27 213 125 28.08 281 137 15.74 157 138 3.4 34 165 11.06 111 180 43.82 438 181 3.4 34 //