ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010591
RECORD_TITLE: 5-AMINO-3-PENTYLISOXAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 5-AMINO-3-PENTYLISOXAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄N₂O
CH$EXACT_MASS: 154.11061
CH$SMILES: CCCCCc(n1)cc(N)o1
CH$IUPAC: InChI=1S/C8H14N2O/c1-2-3-4-5-7-6-8(9)11-10-7/h6H,2-5,9H2,1H3
CH$LINK: INCHIKEY SWUFZCKNJXQAAH-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-002f-9100000000-53cbaf208d79ea7c004a
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  15 5.19 52
  16 1.5 15
  17 3.11 31
  18 12.03 120
  26 10.62 106
  27 69.58 696
  28 45.72 457
  29 65.31 653
  30 12.49 125
  38 5.01 50
  39 51.03 510
  40 14.04 140
  41 93.42 934
  42 66.61 666
  43 65.82 658
  44 38 380
  50 2.13 21
  51 5.4 54
  52 11.23 112
  53 25 250
  54 53.69 537
  55 50.53 505
  56 27.47 275
  57 10.61 106
  58 3.92 39
  59 4.1 41
  65 3.01 30
  66 7.22 72
  67 17.3 173
  68 25.53 255
  69 6.59 66
  70 8 80
  71 7.03 70
  79 2.71 27
  80 14.48 145
  81 12.91 129
  82 16.49 165
  83 22.4 224
  84 12.43 124
  85 5.81 58
  86 2.2 22
  93 1.62 16
  94 9.1 91
  95 5.31 53
  96 7.19 72
  97 33.4 334
  98 99.99 999
  99 6.43 64
  100 2.92 29
  108 52.21 522
  109 20.63 206
  110 15.71 157
  111 27.6 276
  112 8.49 85
  122 10.63 106
  125 23.5 235
  126 3.71 37
  136 2.52 25
  137 3.49 35
  138 2.9 29
  139 3.01 30
  154 7.31 73
  155 2.99 30
//