MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003222

METHYL HEXANOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003222
RECORD_TITLE: METHYL HEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKATA H, DEPT. OF CHEMISTRY, AICHI KYOIKU UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: METHYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCCC(=O)OC
CH$IUPAC: InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
CH$LINK: COMPTOX DTXSID0047616
CH$LINK: INCHIKEY NUKZAGXMHTUAFE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7824

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AC$INSTRUMENT: HITACHI RMU-7
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-059f-9000000000-5fd7dd35ac31db3ce698
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  39 19 190
  40 5 50
  41 31 310
  42 26 260
  43 75 750
  44 6 60
  55 49 490
  56 5 50
  57 12 120
  58 5 50
  59 50 500
  68 8 80
  69 7 70
  71 20 200
  72 5 50
  74 99.99 999
  75 9 90
  87 68 680
  88 8 80
  99 39 390
  101 22 220
  130 6 60
//