ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009099
RECORD_TITLE: FURFURYL CROTONATE; 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$NAME: FURFURYL CROTONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₃
CH$EXACT_MASS: 166.06299
CH$SMILES: CC=CC(=O)OCc(c1)occ1
CH$IUPAC: InChI=1S/C9H10O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h2-6H,7H2,1H3/b4-2+
CH$LINK: INCHIKEY RNOSZJQXPVHHLQ-DUXPYHPUSA-N

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$SPLASH: splash10-0gc0-9000000000-9f3693cccd01d9dd0fdb
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  15 1.8 18
  29 8.52 85
  37 6.35 64
  38 10.32 103
  39 47.63 476
  41 31 310
  42 5.16 52
  43 2.41 24
  44 2.83 28
  45 2 20
  49 1.41 14
  50 5.38 54
  51 8.52 85
  52 31.66 317
  53 31.8 318
  54 2.88 29
  55 1.62 16
  63 1.31 13
  64 4.65 47
  65 2.7 27
  66 1.45 15
  67 1.24 12
  68 4.28 43
  69 85.23 852
  70 3.94 39
  71 1.07 11
  79 1.72 17
  80 9.48 95
  81 99.99 999
  82 5.11 51
  86 1.17 12
  87 2.25 23
  91 1.52 15
  93 9.34 93
  94 2.74 27
  95 8.92 89
  96 5.14 51
  97 11.04 110
  98 11.64 116
  107 1.15 12
  120 2.85 29
  121 12.56 126
  122 1.09 11
  148 2.5 25
  151 1.89 19
  166 17.81 178
  167 2.16 22
//