ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005827
RECORD_TITLE: 4-BUTOXYBENZALDEHYDE; 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$NAME: 4-BUTOXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: CCCCOc(c1)ccc(C=O)c1
CH$IUPAC: InChI=1S/C11H14O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,9H,2-3,8H2,1H3
CH$LINK: INCHIKEY XHWMNHADTZZHGI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5063992
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$SPLASH: splash10-00di-1900000000-373207c751558fb26bcd
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  29 6.61 66
  41 11.24 112
  56 4.74 47
  57 11.51 115
  65 1.03 10
  77 1.01 10
  93 1.11 11
  94 2.42 24
  95 2.71 27
  121 99.99 999
  122 81.95 820
  123 20.86 209
  124 1.72 17
  135 1.06 11
  178 63.73 637
  179 7.82 78
//
