ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007713
RECORD_TITLE: METHYL HEPTADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: METHYL HEPTADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₆O₂
CH$EXACT_MASS: 284.27153
CH$SMILES: CCCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
CH$LINK: CAS 1731-92-6
CH$LINK: INCHIKEY HUEBIMLTDXKIPR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3061924

AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-05fu-9000000000-4b318e8d7bdffa2b35c9
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  40 1.6 16
  41 46.5 465
  42 10.1 101
  43 6.35 64
  44 4.2 42
  45 1.9 19
  53 1.8 18
  54 0.24 2
  55 33 330
  56 6.3 63
  57 20 200
  58 0.15 2
  59 10.4 104
  67 2.8 28
  68 1.4 14
  69 1.33 13
  70 2.6 26
  71 5.7 57
  73 2.2 22
  74 99.99 999
  75 19.5 195
  76 1.1 11
  81 2 20
  82 0.1 1
  83 7.1 71
  84 2.9 29
  85 2.5 25
  87 5.71 57
  88 4.7 47
  95 1.5 15
  96 0.7 7
  97 0.45 5
  98 2.1 21
  101 3.7 37
  111 1.5 15
  115 0.13 1
  116 0.6 6
  129 3.6 36
  130 0.8 8
  143 0.74 7
  144 0.7 7
  157 0.9 9
  171 0.6 6
  185 0.22 2
  186 0.4 4
  199 2.1 21
  200 0.4 4
  213 0.05 1
  227 0.7 7
  241 3.4 34
  242 0.6 6
  253 0.13 1
  255 1 10
  284 2.8 28
  285 0.6 6
//