**Rossel, Pamela E; Bienhold, Christina; Boetius, Antje; Dittmar, Thorsten (2015):** Molecular formulae with CHONSP elements from POLARSTERN cruise ARK-XXVII/3 (IceArc) in 2012. *PANGAEA*, https://doi.org/10.1594/PANGAEA.853772,
*In supplement to:* Rossel, PE et al. (2016): Dissolved organic matter in pore water of Arctic Ocean sediments: Environmental influence on molecular composition. *Organic Geochemistry*, **97**, 41-52, https://doi.org/10.1016/j.orggeochem.2016.04.003

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Further details:

Project(s):

Coverage:

*Median Latitude:*85.132269

** Median Longitude:*82.299354

** South-bound Latitude:*82.891330

** West-bound Longitude:*17.804700

** North-bound Latitude:*88.820330

** East-bound Longitude:*129.912670

*Date/Time Start:*2012-08-15T10:38:00

** Date/Time End:*2012-09-29T13:21:00

*Minimum DEPTH, water:*0.01 m

** Maximum DEPTH, water:*0.10 m

Event(s):

**PS80/240-2**

** Latitude:*83.950500

** Longitude:*76.805170

** Date/Time:*2012-08-15T10:38:00

** Elevation:*-3446.1 m

** Location:*Arctic Ocean

** Campaign:*ARK-XXVII/3 (PS80 IceArc)

** Basis:*Polarstern

** Device:*Multicorer with television (TVMUC)

** Comment:*SL=3444m; Position sensor: Ship's GPS

**PS80/260-2**

** Latitude:*82.900170

** Longitude:*109.813000

** Date/Time:*2012-08-21T10:35:00

** Elevation:*-3590.5 m

** Location:*Arctic Ocean

** Campaign:*ARK-XXVII/3 (PS80 IceArc)

** Basis:*Polarstern

** Device:*Multicorer with television (TVMUC)

** Comment:*SL=3605m; Position sensor: Ship's GPS

**PS80/277-3**

** Latitude:*82.891330

** Longitude:*129.912670

** Date/Time:*2012-08-25T16:46:00

** Elevation:*-4166.1 m

** Location:*Arctic Ocean

** Campaign:*ARK-XXVII/3 (PS80 IceArc)

** Basis:*Polarstern

** Device:*Multicorer with television (TVMUC)

** Comment:*Bodensicht 4146 m GE 52.2; Position sensor: Ship's GPS

Comment:

Molecular formula calculation for all samples was performed using an in-house Matlab (2010) routine that searches, with an error of < 0.5 ppm, for all potential combinations of elements including including the elements C, O, H, N <= 4; S <= 2 and P <= 1. Combination of elements NSP, N2S, N3S, N4S, N2P, N3P, N4P, NS2, N2S2, N3S2, N4S2, S2P was not allowed.

Parameter(s):

# | Name | Short Name | Unit | Principal Investigator | Method | Comment |
---|---|---|---|---|---|---|

1 | Event label | Event | Rossel, Pamela E | |||

2 | Date/Time of event | Date/Time | Rossel, Pamela E | |||

3 | Latitude of event | Latitude | Rossel, Pamela E | |||

4 | Longitude of event | Longitude | Rossel, Pamela E | |||

5 | Depth, top/min | Depth top | m | Rossel, Pamela E | ||

6 | Depth, bottom/max | Depth bot | m | Rossel, Pamela E | ||

7 | DEPTH, water | Depth water | m | Rossel, Pamela E | Geocode | |

8 | Station label | Station | Rossel, Pamela E | |||

9 | Sample ID | Sample ID | Rossel, Pamela E | |||

10 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 1 of total formulae |

11 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 2 of total formulae |

12 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 3 of total formulae |

13 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 4 of total formulae |

14 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 1 of Mwwa |

15 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 2 of Mwwa |

16 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 3 of Mwwa |

17 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 4 of Mwwa |

18 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 1 of total CHO |

19 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 2 of total CHO |

20 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 3 of total CHO |

21 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 4 of total CHO |

22 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 1 of total CHON |

23 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 2 of total CHON |

24 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 3 of total CHON |

25 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 4 of total CHON |

26 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 1 of total CHOS |

27 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 2 of total CHOS |

28 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 3 of total CHOS |

29 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 4 of total CHOS |

30 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 1 of total CHOP |

31 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 2 of total CHOP |

32 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 3 of total CHOP |

33 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 4 of total CHOP |

34 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 1 of total CHONS |

35 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 2 of total CHONS |

36 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 3 of total CHONS |

37 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 4 of total CHONS |

38 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 1 of total CHOSP |

39 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 2 of total CHOSP |

40 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 3 of total CHOSP |

41 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 4 of total CHOSP |

42 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 1 of total CHOSP |

43 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 2 of total CHOSP |

44 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 3 of total CHOSP |

45 | Percentage of total formulae | Perc total form | % | Rossel, Pamela E | Mass spectrometer Solarix FT-ICR | replicate 4 of total CHOSP |

Size:

627 data points