ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007093
RECORD_TITLE: CIS-3-HEXENYL 2-METHYLBUTYRATE; 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

CH$NAME: CIS-3-HEXENYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₂
CH$EXACT_MASS: 184.14633
CH$SMILES: CCC=CCCOC(=O)C(C)CC
CH$IUPAC: InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
CH$LINK: INCHIKEY JKKGTSUICJWEKB-SREVYHEPSA-N
CH$LINK: COMPTOX DTXSID5052177

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0api-9000000000-e7e4b03dfecd1df03363
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 12.63 126
  29 23.62 236
  39 13.78 138
  41 39.22 392
  42 3.47 35
  43 1.8 18
  53 5.51 55
  54 6.93 69
  55 20.41 204
  56 4.29 43
  57 84.87 849
  58 3.06 31
  67 75.43 754
  68 4.86 49
  69 1.32 13
  79 1.05 11
  81 5.75 58
  82 99.99 999
  83 9.32 93
  85 28.88 289
  86 1.45 15
  103 1.81 18
//