ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008178
RECORD_TITLE: 2-METHYL-1,4-NAPHTHOQUINONE; 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$NAME: 2-METHYL-1,4-NAPHTHOQUINONE
CH$NAME: VITAMIN K3
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₈O₂
CH$EXACT_MASS: 172.05243
CH$SMILES: Cc(c1)c(=O)c(c2)c(ccc2)c(=O)1
CH$IUPAC: InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
CH$LINK: CAS 58-27-5
CH$LINK: INCHIKEY MJVAVZPDRWSRRC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021715

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$SPLASH: splash10-0g4i-6900000000-0c6c7737ff416205089c
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  17 1.55 16
  18 5.88 59
  26 1.42 14
  27 2.61 26
  28 5.13 51
  29 1.73 17
  37 3.27 33
  38 9.43 94
  39 25.1 251
  40 4.7 47
  49 1.6 16
  50 25.14 251
  51 7.3 73
  52 1.88 19
  53 2.59 26
  57 1.71 17
  58 2.19 22
  61 1.85 19
  62 4.21 42
  63 6.93 69
  64 1.16 12
  65 2.22 22
  66 2.72 27
  67 2.62 26
  72 1.06 11
  73 2.29 23
  74 15.07 151
  75 14.34 143
  76 48.39 484
  77 9.78 98
  85 1.02 10
  86 2.17 22
  87 2.83 28
  88 1.69 17
  89 6.33 63
  90 1.04 10
  101 2.89 29
  102 1.04 10
  104 55.42 554
  105 15.44 154
  106 1.08 11
  113 1.55 16
  114 2.72 27
  115 43.47 435
  116 41.35 414
  117 3.89 39
  129 3.49 35
  132 1.29 13
  143 2.68 27
  144 37.35 374
  145 4.42 44
  157 1.24 12
  171 2.71 27
  172 99.99 999
  173 12.81 128
  174 1.93 19
//