ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000062
RECORD_TITLE: ISOPROPYL ORTHO TOLUATE (2-D1); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ISOPROPYL ORTHO TOLUATE (2-D1)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂
CH$EXACT_MASS: 178.09938
CH$SMILES: [2H]C(C)(C)OC(=O)c(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C11H14O2/c1-8(2)13-11(12)10-7-5-4-6-9(10)3/h4-8H,1-3H3/i8D
CH$LINK: INCHIKEY GKOTWEXRHKVLLK-BNEYPBHNSA-N

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-014i-7900000000-09f99c64240a8f6cfe54
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 4.01 40
  29 1.67 17
  39 11.75 118
  40 2.34 23
  41 8.81 88
  42 9.01 90
  43 6.14 61
  44 17.16 172
  51 3.67 37
  55 3.07 31
  57 4.14 41
  60 2.2 22
  63 5.87 59
  65 24.83 248
  77 4.01 40
  79 2.27 23
  89 7.74 77
  90 26.03 260
  91 57.61 576
  92 6.68 67
  118 99.99 999
  119 77.44 774
  120 7.34 73
  135 3.2 32
  136 57.34 573
  137 7.34 73
  179 9.48 95
  180 1.27 13
//