ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010032
RECORD_TITLE: 5-HYDROXY-3,N-DIMETHYLPENTANAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 5-HYDROXY-3,N-DIMETHYLPENTANAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₅NO₂
CH$EXACT_MASS: 145.11028
CH$SMILES: OCCC(C)CC(=O)NC
CH$IUPAC: InChI=1S/C7H15NO2/c1-6(3-4-9)5-7(10)8-2/h6,9H,3-5H2,1-2H3,(H,8,10)
CH$LINK: INCHIKEY XZEGKLNXAIQEJU-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-05fu-9100000000-8acc6f7f76d57ab5b65a
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  27 9.7 97
  28 9 90
  29 10.5 105
  30 1.63 16
  31 26.2 262
  32 6.5 65
  39 9.8 98
  40 0.36 4
  41 28.6 286
  42 21.6 216
  43 17.5 175
  44 0.68 7
  45 15.6 156
  53 4 40
  54 2.5 25
  55 2.9 29
  56 7.3 73
  57 16.9 169
  58 56.9 569
  59 0.53 5
  67 2.7 27
  68 4.6 46
  69 21.7 217
  70 1.17 12
  71 8.7 87
  72 2.6 26
  73 99.99 999
  74 0.62 6
  82 5.2 52
  84 1.9 19
  86 6 60
  97 0.31 3
  100 11 110
  101 3.5 35
  110 6.9 69
  112 0.5 5
  114 8.1 81
  115 5.2 52
  125 3 30
  126 0.18 2
  127 13 130
  128 1.8 18
//