MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004222

2-METHYLPENTANOIC ACID METHYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004222
RECORD_TITLE: 2-METHYLPENTANOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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CH$NAME: 2-METHYLPENTANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCC(C)C(=O)OC
CH$IUPAC: InChI=1S/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3
CH$LINK: CAS 2177-77-7
CH$LINK: INCHIKEY ZTULNMNIVVMLIU-UHFFFAOYSA-N

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AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-000i-9000000000-fc93ef340b39354866d1
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  38 2.2 22
  40 11.9 119
  41 5.1 51
  43 4.71 47
  44 6.5 65
  55 9.2 92
  56 6.7 67
  57 2 20
  58 0.9 9
  69 4.2 42
  70 2.4 24
  71 2.41 24
  72 0.9 9
  83 1.3 13
  87 7.9 79
  88 99.99 999
  89 4 40
  99 12.6 126
  101 13.9 139
  102 0.09 1
  115 2.7 27
//