ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011656
RECORD_TITLE: 1-BUTANEBORONIC 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$NAME: 1-BUTANEBORONIC ACID
CH$NAME: BUTYLBORONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₁₁BO₂
CH$EXACT_MASS: 102.08521
CH$SMILES: CCCC[B](O)O
CH$IUPAC: InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
CH$LINK: CAS 4426-47-5
CH$LINK: NIKKAJI J205.804I
CH$LINK: INCHIKEY QPKFVRWIISEVCW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90196087

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-006t-9000000000-f4ffdf1c6be77b4d613a
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  26 1.02 10
  27 6.44 64
  28 4.21 42
  29 5.82 58
  39 4.61 46
  41 10.73 107
  42 5.12 51
  43 12.24 122
  44 25.57 256
  45 99.99 999
  53 1 10
  54 1.3 13
  55 5.6 56
  56 45.25 453
  57 6.26 63
  59 2.04 20
  60 8.17 82
  61 1.43 14
  72 20.11 201
  73 73.33 733
  74 3.15 32
  84 2.88 29
  85 4.32 43
  86 1.04 10
  87 3.31 33
  101 1.59 16
  102 4.76 48
  103 1.36 14
//