ACCESSION: MSBNK-Waters-WA002104
RECORD_TITLE: Indalpine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Indalpine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₀N₂
CH$EXACT_MASS: 228.16265
CH$SMILES: C1CNCCC1CCC2=CNC3=CC=CC=C32
CH$IUPAC: InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2
CH$LINK: CAS 63758-79-2
CH$LINK: INCHIKEY SADQVAVFGNTEOD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80213196

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 15.780 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-053r-0900000000-2703ec4b78d2fdafa71e
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  103 27 27
  106 396 396
  107 31 31
  108 24 24
  112 78 78
  115 12 12
  117 43 43
  118 168 168
  119 12 12
  120 47 47
  122 24 24
  128 16 16
  129 27 27
  130 999 999
  131 86 86
  132 78 78
  134 12 12
  136 16 16
  143 78 78
  144 235 235
  145 24 24
  146 20 20
  154 20 20
  155 20 20
  156 121 121
  157 31 31
  158 27 27
  168 94 94
  169 59 59
  170 59 59
  171 16 16
  182 67 67
  183 43 43
  184 78 78
  197 12 12
  212 63 63
  229 39 39
//