ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004218
RECORD_TITLE: 4-METHYL-2-PENTENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHYL-2-PENTENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₂
CH$EXACT_MASS: 128.08373
CH$SMILES: COC(=O)C=CC(C)C
CH$IUPAC: InChI=1S/C7H12O2/c1-6(2)4-5-7(8)9-3/h4-6H,1-3H3/b5-4+
CH$LINK: CAS 50652-78-3
CH$LINK: INCHIKEY YVOAQDZUARKSRL-SNAWJCMRSA-N

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-00kg-9000000000-7a9a31696e669a6bd3da
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  38 6.6 66
  39 1.4 14
  40 99.99 999
  41 0.59 6
  43 14 140
  45 1.4 14
  50 2.1 21
  51 0.49 5
  52 1.7 17
  53 20.3 203
  54 4.5 45
  55 1.54 15
  56 2.1 21
  57 2.4 24
  59 13.3 133
  65 0.17 2
  67 15.4 154
  68 19.2 192
  69 71.9 719
  70 0.42 4
  71 4.9 49
  73 42.4 424
  74 2.4 24
  81 2.38 24
  82 3.1 31
  85 8 80
  86 1.7 17
  87 0.87 9
  95 9.8 98
  96 21 210
  97 55.4 554
  98 0.35 4
  113 24.5 245
  114 1.4 14
  127 1.4 14
  128 5.78 58
  129 4.5 45
//