MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003604

3-METHYL-1,2-CYCLOPENTANEDIOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003604
RECORD_TITLE: 3-METHYL-1,2-CYCLOPENTANEDIOL; 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

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CH$NAME: 3-METHYL-1,2-CYCLOPENTANEDIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CC(C1)C(O)C(O)C1
CH$IUPAC: InChI=1S/C6H12O2/c1-4-2-3-5(7)6(4)8/h4-8H,2-3H2,1H3
CH$LINK: INCHIKEY KANFKJUPLALTDB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50950248

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AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a5c-9000000000-9deb758dc5b1ed5447d2
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  29 24 240
  41 32 320
  43 33 330
  55 4.1 41
  57 99.99 999
  69 43 430
  83 64 640
  98 7.7 77
  116 4 40
//