MassBank Record: JP002899



 1,4-CYCLOHEXANEDIOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002899
RECORD_TITLE: 1,4-CYCLOHEXANEDIOL; 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$NAME: 1,4-CYCLOHEXANEDIOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H12O2 CH$EXACT_MASS: 116.08373 CH$SMILES: OC(C1)CCC(O)C1 CH$IUPAC: InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4l-9000000000-d6352b1546d75badcd78 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 15 7.21 72 26 2.04 20 27 21.85 219 28 4.97 50 29 36.93 369 30 4.17 42 31 31.63 316 39 19.89 199 40 4.49 45 41 41.59 416 42 33.7 337 43 31.46 315 44 28.83 288 45 8.13 81 47 8.66 87 53 5.38 54 54 63.32 633 55 41.14 411 56 12.02 120 57 38.4 384 58 99.99 999 59 28.2 282 60 2.57 26 67 3.55 36 68 3.2 32 69 23.63 236 70 21.52 215 79 5.87 59 80 12.8 128 81 4.14 41 83 13.64 136 97 7.06 71 98 26.54 265 110 3.09 31 //