ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004180
RECORD_TITLE: 3-HEXYL-GAMMA-BUTYROLACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 3-HEXYL-GAMMA-BUTYROLACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O2
CH$EXACT_MASS: 170.13068
CH$SMILES: CCCCCCC(C1)CC(=O)O1
CH$IUPAC: InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-10(11)12-8-9/h9H,2-8H2,1H3
CH$LINK: INCHIKEY BAKYERABTYQIGZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90979675
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$SPLASH: splash10-000j-9000000000-57ed3e639968d4a8eb35
PK$NUM_PEAK: 129
PK$PEAK: m/z int. rel.int.
  26 0.9 9
  27 13 130
  28 3.6 36
  29 1.4 14
  30 0.6 6
  31 1.4 14
  32 0.4 4
  33 0.03 0
  38 0.5 5
  39 13 130
  40 2.8 28
  41 2.9 29
  42 11 110
  43 33.8 338
  44 2 20
  45 0.34 3
  46 0.1 1
  50 0.3 3
  51 1.2 12
  52 0.07 1
  53 5.6 56
  54 3 30
  55 35.4 354
  56 0.8 8
  57 4 40
  58 7.4 74
  59 2.5 25
  60 0.02 0
  61 0.1 1
  62 0.1 1
  63 0.2 2
  64 0.01 0
  65 1 10
  66 0.5 5
  67 5.5 55
  68 0.21 2
  69 8 80
  70 5.4 54
  71 6.4 64
  72 0.26 3
  73 8.4 84
  74 0.5 5
  75 0.2 2
  77 0.13 1
  78 0.3 3
  79 1.4 14
  80 0.4 4
  81 0.52 5
  82 2.1 21
  83 5 50
  84 1.8 18
  85 1.22 12
  86 99.99 999
  87 7 70
  88 1 10
  89 0.03 0
  91 0.6 6
  92 0.1 1
  93 0.7 7
  94 0.02 0
  95 2.5 25
  96 0.4 4
  97 1.4 14
  98 0.13 1
  99 74 740
  100 10 100
  101 3.5 35
  102 0.03 0
  103 0.2 2
  104 0.1 1
  105 0.3 3
  106 0.01 0
  107 0.6 6
  108 0.1 1
  109 1.3 13
  110 0.06 1
  111 0.7 7
  112 0.7 7
  113 1.6 16
  114 0.03 0
  115 0.4 4
  116 0.1 1
  117 0.4 4
  118 0.01 0
  119 0.2 2
  120 0.1 1
  121 0.5 5
  122 0.02 0
  123 0.4 4
  124 0.2 2
  125 0.6 6
  126 0.09 1
  127 2.3 23
  128 0.8 8
  129 1 10
  130 0.04 0
  131 0.1 1
  135 0.2 2
  136 0.1 1
  137 0.04 0
  138 0.2 2
  139 1.3 13
  140 0.3 3
  141 0.06 1
  142 0.2 2
  143 0.2 2
  144 0.1 1
  145 0.01 0
  150 0.1 1
  151 0.4 4
  152 0.1 1
  153 0.02 0
  154 0.1 1
  155 0.4 4
  156 0.2 2
  157 0.02 0
  158 0.2 2
  159 0.1 1
  165 0.1 1
  166 0.03 0
  167 0.2 2
  168 0.4 4
  169 1.1 11
  170 0.14 1
  171 1.8 18
  172 0.3 3
  173 0.1 1
  174 0.02 0
  175 0.1 1
//
