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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010728

2-HYDROXY-3-METHOXYBENZALDEHYDE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010728
RECORD_TITLE: 2-HYDROXY-3-METHOXYBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SUMITA Y, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 2-HYDROXY-3-METHOXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O3
CH$EXACT_MASS: 152.04734
CH$SMILES: O=Cc(c1)c(O)c(OC)cc1
CH$IUPAC: InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3
CH$LINK: INCHIKEY JJVNINGBHGBWJH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5022011

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0zfr-2900000000-3056668a0a38baf78915
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 2.22 22
  39 1.33 13
  52 1.88 19
  53 6.71 67
  55 4.41 44
  65 4.07 41
  66 1.6 16
  67 1.37 14
  76 7.12 71
  77 3.06 31
  78 4.34 43
  80 1.45 15
  81 14.83 148
  92 3.08 31
  93 3.06 31
  94 1.09 11
  95 2.04 20
  104 1.62 16
  105 5.95 60
  106 37.72 377
  107 4.94 49
  108 6.09 61
  109 23.21 232
  110 1.65 17
  120 4.26 43
  121 6.1 61
  122 11.66 117
  123 4.56 46
  124 1.64 16
  133 1.83 18
  134 1.59 16
  136 2.79 28
  137 2.6 26
  151 17.16 172
  152 99.99 999
  153 8.94 89
  154 1.05 11
//

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