ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003634
RECORD_TITLE: 1-HYDROXYMETHYL-2-METHYLCYCLOHEXANE; 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$NAME: 1-HYDROXYMETHYL-2-METHYLCYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O
CH$EXACT_MASS: 128.12012
CH$SMILES: OCC(C1)C(C)CCC1
CH$IUPAC: InChI=1S/C8H16O/c1-7-4-2-3-5-8(7)6-9/h7-9H,2-6H2,1H3
CH$LINK: INCHIKEY NIDINIHOPRFWFJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60273950
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: splash10-0a4j-9000000000-ea9f13adf467931e76cd
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  27 17.2 172
  29 23 230
  31 24.3 243
  39 2.45 25
  41 35.6 356
  55 99.99 999
  81 17 170
  97 66.8 668
//
