ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007756
RECORD_TITLE: 2-BUTYL-4-ETHYL-5-METHYLOXAZOLE; 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$NAME: 2-BUTYL-4-ETHYL-5-METHYLOXAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₇NO
CH$EXACT_MASS: 167.13101
CH$SMILES: CCCCc(o1)nc(CC)c(C)1
CH$IUPAC: InChI=1S/C10H17NO/c1-4-6-7-10-11-9(5-2)8(3)12-10/h4-7H2,1-3H3
CH$LINK: INCHIKEY PGYVZKVDXNIABS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80342314

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$SPLASH: splash10-00or-4900000000-9231559364b03e22fc07
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  41 8.98 90
  42 4.05 41
  43 38.2 382
  54 4.88 49
  55 1.36 14
  56 14.16 142
  57 3.01 30
  68 1.98 20
  69 32.96 330
  82 30.02 300
  83 1.96 20
  84 28.02 280
  85 1.96 20
  94 1.94 19
  96 7.98 80
  110 21.02 210
  124 35.04 350
  125 99.99 999
  126 27.24 272
  138 52.76 528
  139 26 260
  140 2.02 20
  152 29.22 292
  153 2.86 29
  166 5.12 51
  167 37 370
  168 6.88 69
//