MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010889

ISOPENTYL 3-METHYLPENTANOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010889
RECORD_TITLE: ISOPENTYL 3-METHYLPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: ISOPENTYL 3-METHYLPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₂
CH$EXACT_MASS: 186.16198
CH$SMILES: CCC(C)CC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C11H22O2/c1-5-10(4)8-11(12)13-7-6-9(2)3/h9-10H,5-8H2,1-4H3
CH$LINK: INCHIKEY JLJJAUHWSQZOJP-UHFFFAOYSA-N

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AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00dl-9000000000-7e07b3ad8b98eb390408
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 10.6 106
  29 15.9 159
  39 8.7 87
  41 26.8 268
  42 11.8 118
  43 55.9 559
  44 1.8 18
  45 1.5 15
  53 1.9 19
  55 24.9 249
  56 4.6 46
  57 6.6 66
  60 4.8 48
  61 3 30
  69 6 60
  70 99.99 999
  71 52 520
  72 2.8 28
  73 1.7 17
  87 4.6 46
  99 36.6 366
  100 2.6 26
  101 1.3 13
  115 1.6 16
  116 1.1 11
  117 10.3 103
  130 1.2 12
  143 1.4 14
//