ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004103
RECORD_TITLE: HYDRATROPIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HYDRATROPIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.06808
CH$SMILES: OC(=O)C(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m1/s1
CH$LINK: INCHIKEY YPGCWEMNNLXISK-SSDOTTSWSA-N
CH$LINK: COMPTOX DTXSID30228437

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0a6r-8900000000-b3d053ccd1651940b7a0
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  39 6.8 68
  43 2 20
  45 5.9 59
  46 1.7 17
  50 5.6 56
  51 15.3 153
  52 3.2 32
  53 0.24 2
  61 2.2 22
  62 2.1 21
  63 13.4 134
  65 0.29 3
  69 1.7 17
  74 2.1 21
  75 1.7 17
  76 0.18 2
  77 27.2 272
  78 14.1 141
  79 19.7 197
  80 0.17 2
  89 1.9 19
  91 11.7 117
  102 2 20
  103 1.25 13
  104 6.9 69
  105 99.99 999
  106 11.4 114
  107 0.17 2
  150 21 210
  151 2 20
//