ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005833
RECORD_TITLE: METHYL CAPROATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: METHYL CAPROATE
CH$NAME: CAPROIC ACID METHYL ESTER
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: INCHIKEY NUKZAGXMHTUAFE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0047616

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00dr-9000000000-6225c83416702a604da1
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  29 2.19 22
  41 3.78 38
  42 2.18 22
  43 31.61 316
  44 1.42 14
  55 7.84 78
  56 1.43 14
  57 4.59 46
  59 18.27 183
  69 3.91 39
  70 5.89 59
  71 15.47 155
  73 2.23 22
  74 99.99 999
  75 11.13 111
  76 1.13 11
  83 1.12 11
  87 68.44 684
  88 8.99 90
  97 1.12 11
  98 1.22 12
  99 37.42 374
  100 2.45 25
  101 17.76 178
  102 1.3 13
  130 5.95 60
//