ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009250
RECORD_TITLE: METHYL NONADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL NONADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₄₀O₂
CH$EXACT_MASS: 312.30283
CH$SMILES: CCCCCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
CH$LINK: INCHIKEY BDXAHSJUDUZLDU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40169524

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-059f-9000000000-656c58a9685df137bf2c
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  15 2.8 28
  27 6.7 67
  31 1.4 14
  39 0.45 5
  41 51.1 511
  42 9.8 98
  43 62.5 625
  45 0.1 1
  53 2.6 26
  54 2.9 29
  55 38.8 388
  56 0.69 7
  57 29.2 292
  59 11.8 118
  67 4.5 45
  68 0.22 2
  69 19.3 193
  70 4.4 44
  71 8.5 85
  73 0.28 3
  74 99.99 999
  75 22.9 229
  79 1.4 14
  81 0.24 2
  82 1.8 18
  83 9 90
  84 1.9 19
  85 0.28 3
  87 63.7 637
  88 5 50
  95 2.3 23
  96 0.13 1
  97 6.9 69
  98 3.6 36
  99 1 10
  101 0.56 6
  109 1.5 15
  111 2.7 27
  112 1.1 11
  115 0.21 2
  116 1.3 13
  125 1.4 14
  129 4.8 48
  130 0.15 2
  143 11.6 116
  144 1.3 13
  157 1.7 17
  171 0.14 1
  185 2.2 22
  199 2.5 25
  213 2.4 24
  227 0.17 2
  255 1.1 11
  269 5.3 53
  270 1.6 16
  281 0.3 3
  283 1.2 12
//