MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006831

ISOAMYL CROTONATE; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006831
RECORD_TITLE: ISOAMYL CROTONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

---

CH$NAME: ISOAMYL CROTONATE
CH$NAME: 3-METHYLBUTYL TRANS-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₂
CH$EXACT_MASS: 156.11503
CH$SMILES: CC=CC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C9H16O2/c1-4-5-9(10)11-7-6-8(2)3/h4-5,8H,6-7H2,1-3H3/b5-4+
CH$LINK: INCHIKEY JAVOYFHBJFLMRQ-SNAWJCMRSA-N
CH$LINK: COMPTOX DTXSID20888408

---

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$SPLASH: splash10-01bc-9000000000-c3827e7d2b050f186e91
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 9.27 93
  29 6.34 63
  38 1.4 14
  39 26.21 262
  41 38.6 386
  42 10.46 105
  43 14.39 144
  45 1.34 13
  53 1.22 12
  55 22.03 220
  56 1.61 16
  57 1.02 10
  68 2.24 22
  69 99.99 999
  70 58.22 582
  71 3.52 35
  86 1 10
  87 21.72 217
  99 1.42 14
  113 1.3 13
//