MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010392

2-PHENYLBUTYRIC ACID; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010392
RECORD_TITLE: 2-PHENYLBUTYRIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

---

CH$NAME: 2-PHENYLBUTYRIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: CCC(C(O)=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
CH$LINK: INCHIKEY OFJWFSNDPCAWDK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90861682

---

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

---

MS$FOCUSED_ION: ION_TYPE [M]+*

---

PK$SPLASH: splash10-0006-9400000000-ebc9d9ef51b27c588c9f
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  41 5 50
  43 1 10
  55 1 10
  56 0.1 1
  57 1 10
  58 1 10
  60 1 10
  77 0.1 1
  78 2 20
  79 3 30
  90 1 10
  91 99.99 999
  92 6 60
  103 1 10
  104 2 20
  105 0.1 1
  107 2 20
  117 2 20
  118 2 20
  119 5.5 55
  120 6 60
  135 2 20
  136 5 50
  146 0.1 1
  164 30 300
  165 6 60
//