MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008787

TOLUALDEHYDE; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008787
RECORD_TITLE: TOLUALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

---

CH$NAME: TOLUALDEHYDE
CH$NAME: 4-METHYLBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O
CH$EXACT_MASS: 120.05751
CH$SMILES: O=Cc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
CH$LINK: CAS 104-87-0
CH$LINK: INCHIKEY FXLOVSHXALFLKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9041520

---

AC$INSTRUMENT: HP 5970
AC$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$SPLASH: splash10-00r6-9500000000-8499fc6c52a970ddef6f
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  37 3.07 31
  38 5.84 58
  39 25.67 257
  41 5.37 54
  43 3.47 35
  44 2.98 30
  50 8.56 86
  51 12.98 130
  52 2.77 28
  53 2.89 29
  61 3.27 33
  62 8.56 86
  63 16.8 168
  64 5.25 53
  65 28.25 283
  74 2.41 24
  89 9.72 97
  91 99.99 999
  92 10.02 100
  119 74.19 742
  120 74.79 748
  121 8.3 83
//