ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009243
RECORD_TITLE: 3-METHYLPENTYL SALICYLATE; 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$NAME: 3-METHYLPENTYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H18O3
CH$EXACT_MASS: 222.12559
CH$SMILES: CCC(C)CCOC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C13H18O3/c1-3-10(2)8-9-16-13(15)11-6-4-5-7-12(11)14/h4-7,10,14H,3,8-9H2,1-2H3
CH$LINK: INCHIKEY GWYVTSFBLKXAMY-UHFFFAOYSA-N
AC$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: splash10-00dl-9500000000-ef1a0f61fc4097ba16d2
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 11.8 118
  29 14.9 149
  38 1.6 16
  39 2.12 21
  41 29 290
  42 3 30
  43 65.3 653
  51 0.12 1
  53 3.9 39
  54 1 10
  55 15.4 154
  56 0.86 9
  57 14.5 145
  63 5.5 55
  64 6.8 68
  65 2.35 24
  66 1.6 16
  69 23.1 231
  70 1.2 12
  81 0.14 1
  84 41 410
  85 15.2 152
  92 20.9 209
  93 1.07 11
  120 99.99 999
  121 42.9 429
  122 3.1 31
  138 4.44 44
  139 10.9 109
  222 18.4 184
  223 2.5 25
//
